CID 15376

Vincamine

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O
InChI
InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
InChIKey
RXPRRQLKFXBCSJ-GIVPXCGWSA-N
Compound name
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

359
References

86474
Patents

354.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.6
[M+Na]+ 377.18356 198.0
[M+NH4]+ 372.22816 198.0
[M+K]+ 393.15750 188.6
[M-H]- 353.18706 187.4
[M+Na-2H]- 375.16901 188.8
[M]+ 354.19379 188.7
[M]- 354.19489 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe