PubChemLite - Anominine (C28H39NO)

Structural Information

Molecular Formula

SMILES

CC1CCC(C2(C1(CCC(=C)C2CC3=CNC4=CC=CC=C43)C)CCC=C(C)C)O

InChI

InChI=1S/C28H39NO/c1-19(2)9-8-15-28-24(17-22-18-29-25-11-7-6-10-23(22)25)20(3)14-16-27(28,5)21(4)12-13-26(28)30/h6-7,9-11,18,21,24,26,29-30H,3,8,12-17H2,1-2,4-5H3

InChIKey

BSSPRCKKWJRAJZ-UHFFFAOYSA-N

Compound name

8-(1H-indol-3-ylmethyl)-4,4a-dimethyl-7-methylidene-8a-(4-methylpent-3-enyl)-2,3,4,5,6,8-hexahydro-1H-naphthalen-1-ol

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]+	406.31044	206.2
[M+Na]+	428.29238	211.4
[M-H]-	404.29588	209.2
[M+NH4]+	423.33698	222.3
[M+K]+	444.26632	202.2
[M+H-H2O]+	388.30042	197.9
[M+HCOO]-	450.30136	215.2
[M+CH3COO]-	464.31701	212.9
[M+Na-2H]-	426.27783	202.4
[M]+	405.30261	201.2
[M]-	405.30371	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.31044

206.2

[M+Na]+

428.29238

211.4

[M-H]-

404.29588

209.2

[M+NH4]+

423.33698

222.3

[M+K]+

444.26632

202.2

[M+H-H2O]+

388.30042

197.9

[M+HCOO]-

450.30136

215.2

[M+CH3COO]-

464.31701

212.9

[M+Na-2H]-

426.27783

202.4

[M]+

405.30261

201.2

[M]-

405.30371

201.2

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

Anominine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe