PubChemLite - 147783-69-5 (C31H48N2O5)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1C)(C)C)OC(=O)C(=CC2=CC=C(C=C2)OC)C(=O)OC3CC(N(C(C3)(C)C)C)(C)C)C

InChI

InChI=1S/C31H48N2O5/c1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24/h12-16,23-24H,17-20H2,1-11H3

InChIKey

CMXLJKWFEJEFJE-UHFFFAOYSA-N

Compound name

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate

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]+	529.36358	217.7
[M+Na]+	551.34552	222.3
[M-H]-	527.34902	223.4
[M+NH4]+	546.39012	229.0
[M+K]+	567.31946	221.3
[M+H-H2O]+	511.35356	210.1
[M+HCOO]-	573.35450	225.1
[M+CH3COO]-	587.37015	251.0
[M+Na-2H]-	549.33097	213.3
[M]+	528.35575	220.7
[M]-	528.35685	220.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.36358

217.7

[M+Na]+

551.34552

222.3

[M-H]-

527.34902

223.4

[M+NH4]+

546.39012

229.0

[M+K]+

567.31946

221.3

[M+H-H2O]+

511.35356

210.1

[M+HCOO]-

573.35450

225.1

[M+CH3COO]-

587.37015

251.0

[M+Na-2H]-

549.33097

213.3

[M]+

528.35575

220.7

[M]-

528.35685

220.7

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

147783-69-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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