Ambiguine p (C25H29NO)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CC[C@]2(C3=C1C=CC(C4=C3C5=C(C2(C)C)C=CC=C5N4)(C)C)O)C=C

InChI

InChI=1S/C25H29NO/c1-7-24(6)13-14-25(27)20-16(24)11-12-22(2,3)21-19(20)18-15(23(25,4)5)9-8-10-17(18)26-21/h7-12,26-27H,1,13-14H2,2-6H3/t24-,25+/m0/s1

InChIKey

YIXMOSKWKGHGSQ-LOSJGSFVSA-N

Compound name

(12R,15S)-12-ethenyl-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17),9,11(16)-hexaen-15-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]+	360.232176	192.5
[M+Na]+	382.214118	204.2
[M-H]-	358.217624	196.4
[M+NH4]+	377.258723	216.4
[M+K]+	398.188058	195.5
[M+H-H2O]+	342.222160	184.7
[M+HCOO]-	404.223101	202.8
[M+CH3COO]-	418.238751	201.9
[M+Na-2H]-	380.199566	197.1
[M]+	359.22435142	193.0
[M]-	359.22544858	193.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

360.232176

192.5

[M+Na]+

382.214118

204.2

[M-H]-

358.217624

196.4

[M+NH4]+

377.258723

216.4

[M+K]+

398.188058

195.5

[M+H-H2O]+

342.222160

184.7

[M+HCOO]-

404.223101

202.8

[M+CH3COO]-

418.238751

201.9

[M+Na-2H]-

380.199566

197.1

[M]+

359.22435142

193.0

[M]-

359.22544858

193.0

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

Ambiguine p

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe