21,22-dihydrostrychnidine (C21H26N2O)

Structural Information

Molecular Formula

SMILES

C1CN2[C@H]3[C@@H]4[C@H]1OCC[C@H]5[C@@H]4C[C@H]6C3(CCN6C5)C7=CC=CC=C72

InChI

InChI=1S/C21H26N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,13-14,17-20H,5-12H2/t13-,14+,17+,18+,19+,20+,21?/m1/s1

InChIKey

KZTJNVKGHFKUCI-JUCGOJCYSA-N

Compound name

(4S,4aS,5aS,13aS,15aS,15bR)-2,3,4,4a,5,5a,7,8,13a,14,15,15a,15b,16-tetradecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline

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]+	323.211776	171.6
[M+Na]+	345.193718	176.2
[M-H]-	321.197224	174.8
[M+NH4]+	340.238323	192.2
[M+K]+	361.167658	169.2
[M+H-H2O]+	305.201760	162.8
[M+HCOO]-	367.202701	175.0
[M+CH3COO]-	381.218351	179.1
[M+Na-2H]-	343.179166	172.6
[M]+	322.20395142	165.9
[M]-	322.20504858	165.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.211776

171.6

[M+Na]+

345.193718

176.2

[M-H]-

321.197224

174.8

[M+NH4]+

340.238323

192.2

[M+K]+

361.167658

169.2

[M+H-H2O]+

305.201760

162.8

[M+HCOO]-

367.202701

175.0

[M+CH3COO]-

381.218351

179.1

[M+Na-2H]-

343.179166

172.6

[M]+

322.20395142

165.9

[M]-

322.20504858

165.9

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

21,22-dihydrostrychnidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe