PubChemLite - Oxirane, 2,2'-[[1-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenyl]ethylidene]bis(4,1-phenyleneoxymethylene)]bis- (C38H40O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)OCC3CO3)C4=CC=C(C=C4)OCC5CO5)C6=CC=C(C=C6)OCC7CO7

InChI

InChI=1S/C38H40O6/c1-37(2,27-8-14-31(15-9-27)39-20-34-23-42-34)26-4-6-28(7-5-26)38(3,29-10-16-32(17-11-29)40-21-35-24-43-35)30-12-18-33(19-13-30)41-22-36-25-44-36/h4-19,34-36H,20-25H2,1-3H3

InChIKey

TVPNSPVSCKWFEU-UHFFFAOYSA-N

Compound name

2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	593.28978	214.2
[M+Na]+	615.27172	213.8
[M-H]-	591.27522	227.8
[M+NH4]+	610.31632	202.0
[M+K]+	631.24566	219.8
[M+H-H2O]+	575.27976	207.2
[M+HCOO]-	637.28070	223.3
[M+CH3COO]-	651.29635	216.1
[M+Na-2H]-	613.25717	212.9
[M]+	592.28195	222.3
[M]-	592.28305	222.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.28978

214.2

[M+Na]+

615.27172

213.8

[M-H]-

591.27522

227.8

[M+NH4]+

610.31632

202.0

[M+K]+

631.24566

219.8

[M+H-H2O]+

575.27976

207.2

[M+HCOO]-

637.28070

223.3

[M+CH3COO]-

651.29635

216.1

[M+Na-2H]-

613.25717

212.9

[M]+

592.28195

222.3

[M]-

592.28305

222.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Oxirane, 2,2'-[[1-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenyl]ethylidene]bis(4,1-phenyleneoxymethylene)]bis-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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