PubChemLite - 10,11-epoxy-3-geranylgeranylindole (C28H39NO)

Structural Information

Molecular Formula

SMILES

CC(=CCC[C@]1([C@@H](O1)CC/C(=C/CC/C(=C/CC2=CNC3=CC=CC=C32)/C)/C)C)C

InChI

InChI=1S/C28H39NO/c1-21(2)10-9-19-28(5)27(30-28)18-16-23(4)12-8-11-22(3)15-17-24-20-29-26-14-7-6-13-25(24)26/h6-7,10,12-15,20,27,29H,8-9,11,16-19H2,1-5H3/b22-15+,23-12+/t27-,28-/m0/s1

InChIKey

QYURLADRFYOWFT-FAHBDJPOSA-N

Compound name

3-[(2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]nona-2,6-dienyl]-1H-indole

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	204.2
[M+Na]+	428.29238	210.2
[M-H]-	404.29588	209.0
[M+NH4]+	423.33698	212.2
[M+K]+	444.26632	203.1
[M+H-H2O]+	388.30042	196.8
[M+HCOO]-	450.30136	218.6
[M+CH3COO]-	464.31701	226.9
[M+Na-2H]-	426.27783	201.0
[M]+	405.30261	210.3
[M]-	405.30371	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.31044

204.2

[M+Na]+

428.29238

210.2

[M-H]-

404.29588

209.0

[M+NH4]+

423.33698

212.2

[M+K]+

444.26632

203.1

[M+H-H2O]+

388.30042

196.8

[M+HCOO]-

450.30136

218.6

[M+CH3COO]-

464.31701

226.9

[M+Na-2H]-

426.27783

201.0

[M]+

405.30261

210.3

[M]-

405.30371

210.3

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

10,11-epoxy-3-geranylgeranylindole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe