PubChemLite - Vincamine (C21H26N2O3)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O

InChI

InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1

InChIKey

RXPRRQLKFXBCSJ-GIVPXCGWSA-N

Compound name

methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate

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]+	355.20162	185.7
[M+Na]+	377.18356	192.5
[M-H]-	353.18706	186.4
[M+NH4]+	372.22816	205.0
[M+K]+	393.15750	186.8
[M+H-H2O]+	337.19160	175.9
[M+HCOO]-	399.19254	193.8
[M+CH3COO]-	413.20819	193.8
[M+Na-2H]-	375.16901	189.5
[M]+	354.19379	185.9
[M]-	354.19489	185.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

355.20162

185.7

[M+Na]+

377.18356

192.5

[M-H]-

353.18706

186.4

[M+NH4]+

372.22816

205.0

[M+K]+

393.15750

186.8

[M+H-H2O]+

337.19160

175.9

[M+HCOO]-

399.19254

193.8

[M+CH3COO]-

413.20819

193.8

[M+Na-2H]-

375.16901

189.5

[M]+

354.19379

185.9

[M]-

354.19489

185.9

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

Vincamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe