PubChemLite - 72928-45-1 (C32H41NO2)

Structural Information

Molecular Formula

SMILES

CCCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OC(C)(CCC=C(C)C)C=C

InChI

InChI=1S/C32H41NO2/c1-6-8-9-11-20-28(24-27-18-12-10-13-19-27)25-33-30-22-15-14-21-29(30)31(34)35-32(5,7-2)23-16-17-26(3)4/h7,10,12-15,17-19,21-22,24-25H,2,6,8-9,11,16,20,23H2,1,3-5H3

InChIKey

FFYKJGASIBFVHC-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-1,6-dien-3-yl 2-(2-benzylideneoctylideneamino)benzoate

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]+	472.32100	226.0
[M+Na]+	494.30294	226.3
[M-H]-	470.30644	231.1
[M+NH4]+	489.34754	233.7
[M+K]+	510.27688	219.4
[M+H-H2O]+	454.31098	215.6
[M+HCOO]-	516.31192	243.5
[M+CH3COO]-	530.32757	244.2
[M+Na-2H]-	492.28839	221.9
[M]+	471.31317	229.5
[M]-	471.31427	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.32100

226.0

[M+Na]+

494.30294

226.3

[M-H]-

470.30644

231.1

[M+NH4]+

489.34754

233.7

[M+K]+

510.27688

219.4

[M+H-H2O]+

454.31098

215.6

[M+HCOO]-

516.31192

243.5

[M+CH3COO]-

530.32757

244.2

[M+Na-2H]-

492.28839

221.9

[M]+

471.31317

229.5

[M]-

471.31427

229.5

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

72928-45-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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