PubChemLite - Strychnine (C21H22N2O2)

Structural Information

Molecular Formula

SMILES

C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75

InChI

InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1

InChIKey

QMGVPVSNSZLJIA-FVWCLLPLSA-N

Compound name

(4aR,5aS,8aR,13aS,15aS,15bR)-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]+	335.17540	174.5
[M+Na]+	357.15734	180.8
[M-H]-	333.16084	178.5
[M+NH4]+	352.20194	194.9
[M+K]+	373.13128	174.3
[M+H-H2O]+	317.16538	166.3
[M+HCOO]-	379.16632	179.4
[M+CH3COO]-	393.18197	182.7
[M+Na-2H]-	355.14279	176.2
[M]+	334.16757	171.3
[M]-	334.16867	171.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

335.17540

174.5

[M+Na]+

357.15734

180.8

[M-H]-

333.16084

178.5

[M+NH4]+

352.20194

194.9

[M+K]+

373.13128

174.3

[M+H-H2O]+

317.16538

166.3

[M+HCOO]-

379.16632

179.4

[M+CH3COO]-

393.18197

182.7

[M+Na-2H]-

355.14279

176.2

[M]+

334.16757

171.3

[M]-

334.16867

171.3

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

Strychnine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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