Vincoridine (C21H24N2O3)

Structural Information

Molecular Formula

SMILES

C/C=C/1\CN2CCC34C2(C(=O)CC1C3C(=O)OC)N(C5=CC=CC=C45)C

InChI

InChI=1S/C21H24N2O3/c1-4-13-12-23-10-9-20-15-7-5-6-8-16(15)22(2)21(20,23)17(24)11-14(13)18(20)19(25)26-3/h4-8,14,18H,9-12H2,1-3H3/b13-4+

InChIKey

OVWZWXBYBKIZDC-YIXHJXPBSA-N

Compound name

methyl (13Z)-13-ethylidene-8-methyl-10-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-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]+	353.185956	190.7
[M+Na]+	375.167898	201.4
[M-H]-	351.171404	195.3
[M+NH4]+	370.212503	211.4
[M+K]+	391.141838	191.6
[M+H-H2O]+	335.175940	186.5
[M+HCOO]-	397.176881	198.3
[M+CH3COO]-	411.192531	198.7
[M+Na-2H]-	373.153346	192.6
[M]+	352.17813142	191.1
[M]-	352.17922858	191.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.185956

190.7

[M+Na]+

375.167898

201.4

[M-H]-

351.171404

195.3

[M+NH4]+

370.212503

211.4

[M+K]+

391.141838

191.6

[M+H-H2O]+

335.175940

186.5

[M+HCOO]-

397.176881

198.3

[M+CH3COO]-

411.192531

198.7

[M+Na-2H]-

373.153346

192.6

[M]+

352.17813142

191.1

[M]-

352.17922858

191.1

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

Vincoridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe