PubChemLite - 115254-47-2 (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	174.4
[M+Na]+	615.27172	188.1
[M+NH4]+	610.31632	180.5
[M+K]+	631.24566	187.2
[M-H]-	591.27522	196.2
[M+Na-2H]-	613.25717	188.7
[M]+	592.28195	185.1
[M]-	592.28305	185.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.28978

174.4

[M+Na]+

615.27172

188.1

[M+NH4]+

610.31632

180.5

[M+K]+

631.24566

187.2

[M-H]-

591.27522

196.2

[M+Na-2H]-

613.25717

188.7

[M]+

592.28195

185.1

[M]-

592.28305

185.1

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

115254-47-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe