PubChemLite - Vincaminol (C20H26N2O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-2-19-9-5-10-21-11-8-15-14-6-3-4-7-16(14)22(17(15)18(19)21)20(24,12-19)13-23/h3-4,6-7,18,23-24H,2,5,8-13H2,1H3/t18-,19+,20+/m1/s1

InChIKey

YCXHPBHFOLIYEB-AABGKKOBSA-N

Compound name

(15S,17S,19S)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol

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]+	327.20671	179.3
[M+Na]+	349.18865	186.7
[M-H]-	325.19215	178.9
[M+NH4]+	344.23325	199.4
[M+K]+	365.16259	179.6
[M+H-H2O]+	309.19669	169.7
[M+HCOO]-	371.19763	187.1
[M+CH3COO]-	385.21328	187.6
[M+Na-2H]-	347.17410	184.2
[M]+	326.19888	177.5
[M]-	326.19998	177.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.20671

179.3

[M+Na]+

349.18865

186.7

[M-H]-

325.19215

178.9

[M+NH4]+

344.23325

199.4

[M+K]+

365.16259

179.6

[M+H-H2O]+

309.19669

169.7

[M+HCOO]-

371.19763

187.1

[M+CH3COO]-

385.21328

187.6

[M+Na-2H]-

347.17410

184.2

[M]+

326.19888

177.5

[M]-

326.19998

177.5

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

Vincaminol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe