Deoxyvincaminamide (C20H25N3O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H25N3O/c1-2-20-9-5-10-22-11-8-14-13-6-3-4-7-15(13)23(17(14)18(20)22)16(12-20)19(21)24/h3-4,6-7,16,18H,2,5,8-12H2,1H3,(H2,21,24)/t16-,18-,20+/m1/s1

InChIKey

WXQJMUQRXNZZFY-POAQFYNOSA-N

Compound name

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

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]+	324.207046	177.2
[M+Na]+	346.188988	183.2
[M-H]-	322.192494	178.5
[M+NH4]+	341.233593	196.0
[M+K]+	362.162928	176.8
[M+H-H2O]+	306.197030	167.5
[M+HCOO]-	368.197971	187.3
[M+CH3COO]-	382.213621	185.6
[M+Na-2H]-	344.174436	180.4
[M]+	323.19922142	174.1
[M]-	323.20031858	174.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

324.207046

177.2

[M+Na]+

346.188988

183.2

[M-H]-

322.192494

178.5

[M+NH4]+

341.233593

196.0

[M+K]+

362.162928

176.8

[M+H-H2O]+

306.197030

167.5

[M+HCOO]-

368.197971

187.3

[M+CH3COO]-

382.213621

185.6

[M+Na-2H]-

344.174436

180.4

[M]+

323.19922142

174.1

[M]-

323.20031858

174.1

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

Deoxyvincaminamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe