PubChemLite - 4-hydroxystrychnidin-10-one (C21H22N2O3)

Structural Information

Molecular Formula

SMILES

C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C(=CC=C7)O

InChI

InChI=1S/C21H22N2O3/c24-14-3-1-2-13-19(14)23-17(25)9-15-18-12-8-16-21(13,20(18)23)5-6-22(16)10-11(12)4-7-26-15/h1-4,12,15-16,18,20,24H,5-10H2/t12-,15-,16-,18-,20-,21?/m0/s1

InChIKey

NZPSURVTGWFING-BEONAWIISA-N

Compound name

(4aR,5aS,13aS,15aS,15bR)-12-hydroxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

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]+	351.17034	177.1
[M+Na]+	373.15228	185.8
[M+NH4]+	368.19688	187.6
[M+K]+	389.12622	182.3
[M-H]-	349.15578	178.4
[M+Na-2H]-	371.13773	173.4
[M]+	350.16251	178.8
[M]-	350.16361	178.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.17034

177.1

[M+Na]+

373.15228

185.8

[M+NH4]+

368.19688

187.6

[M+K]+

389.12622

182.3

[M-H]-

349.15578

178.4

[M+Na-2H]-

371.13773

173.4

[M]+

350.16251

178.8

[M]-

350.16361

178.8

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

4-hydroxystrychnidin-10-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe