PubChemLite - N-(4-methoxyphenyl)retinamide (C27H35NO2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)NC2=CC=C(C=C2)OC)\C)/C

InChI

InChI=1S/C27H35NO2/c1-20(12-17-25-22(3)11-8-18-27(25,4)5)9-7-10-21(2)19-26(29)28-23-13-15-24(30-6)16-14-23/h7,9-10,12-17,19H,8,11,18H2,1-6H3,(H,28,29)/b10-7+,17-12+,20-9-,21-19-

InChIKey

DBQHWMPFMCOGIW-GLKGMVBCSA-N

Compound name

(2Z,4E,6Z,8E)-N-(4-methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

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]+	406.27406	205.7
[M+Na]+	428.25600	215.3
[M+NH4]+	423.30060	212.1
[M+K]+	444.22994	205.4
[M-H]-	404.25950	208.4
[M+Na-2H]-	426.24145	210.4
[M]+	405.26623	207.7
[M]-	405.26733	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.27406

205.7

[M+Na]+

428.25600

215.3

[M+NH4]+

423.30060

212.1

[M+K]+

444.22994

205.4

[M-H]-

404.25950

208.4

[M+Na-2H]-

426.24145

210.4

[M]+

405.26623

207.7

[M]-

405.26733

207.7

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

N-(4-methoxyphenyl)retinamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe