PubChemLite - Vinpocetine (C22H26N2O2)

Structural Information

Molecular Formula

SMILES

CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1

InChIKey

DDNCQMVWWZOMLN-IRLDBZIGSA-N

Compound name

ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-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]+	351.20671	186.3
[M+Na]+	373.18865	199.6
[M+NH4]+	368.23325	197.2
[M+K]+	389.16259	190.5
[M-H]-	349.19215	188.4
[M+Na-2H]-	371.17410	188.7
[M]+	350.19888	189.0
[M]-	350.19998	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.20671

186.3

[M+Na]+

373.18865

199.6

[M+NH4]+

368.23325

197.2

[M+K]+

389.16259

190.5

[M-H]-

349.19215

188.4

[M+Na-2H]-

371.17410

188.7

[M]+

350.19888

189.0

[M]-

350.19998

189.0

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

Vinpocetine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe