PubChemLite - Amesergide (C25H35N3O)

Structural Information

Molecular Formula

SMILES

CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)NC4CCCCC4)C5=C2C1=CC=C5

InChI

InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21-,23-/m1/s1

InChIKey

KEMOOQHMCGCZKH-JMUQELJHSA-N

Compound name

(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

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]+	394.28528	198.6
[M+Na]+	416.26722	209.5
[M+NH4]+	411.31182	207.3
[M+K]+	432.24116	203.2
[M-H]-	392.27072	203.0
[M+Na-2H]-	414.25267	200.2
[M]+	393.27745	201.3
[M]-	393.27855	201.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.28528

198.6

[M+Na]+

416.26722

209.5

[M+NH4]+

411.31182

207.3

[M+K]+

432.24116

203.2

[M-H]-

392.27072

203.0

[M+Na-2H]-

414.25267

200.2

[M]+

393.27745

201.3

[M]-

393.27855

201.3

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

Amesergide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe