PubChemLite - Apovincamine (C21H24N2O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1

InChIKey

OZDNDGXASTWERN-CTNGQTDRSA-N

Compound name

methyl (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]+	337.19106	181.6
[M+Na]+	359.17300	188.7
[M-H]-	335.17650	183.7
[M+NH4]+	354.21760	200.4
[M+K]+	375.14694	182.8
[M+H-H2O]+	319.18104	171.5
[M+HCOO]-	381.18198	192.5
[M+CH3COO]-	395.19763	190.6
[M+Na-2H]-	357.15845	185.4
[M]+	336.18323	182.9
[M]-	336.18433	182.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

337.19106

181.6

[M+Na]+

359.17300

188.7

[M-H]-

335.17650

183.7

[M+NH4]+

354.21760

200.4

[M+K]+

375.14694

182.8

[M+H-H2O]+

319.18104

171.5

[M+HCOO]-

381.18198

192.5

[M+CH3COO]-

395.19763

190.6

[M+Na-2H]-

357.15845

185.4

[M]+

336.18323

182.9

[M]-

336.18433

182.9

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

Apovincamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe