CID 3039951

Vincamine n-oxide

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC[C@@]12CCC[N+]3([C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O)[O-]
InChI
InChI=1S/C21H26N2O4/c1-3-20-10-6-11-23(26)12-9-15-14-7-4-5-8-16(14)22(17(15)18(20)23)21(25,13-20)19(24)27-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+,23?/m1/s1
InChIKey
YMNSBLFXXIFOLR-IMWDKWLZSA-N
Compound name
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-11-oxido-1-aza-11-azoniapentacyclo[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
1
Annotation Hits

1
References

0
Patents

370.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 188.6
[M+Na]+ 393.17849 200.9
[M+NH4]+ 388.22309 201.3
[M+K]+ 409.15243 191.8
[M-H]- 369.18199 190.1
[M+Na-2H]- 391.16394 191.8
[M]+ 370.18872 191.2
[M]- 370.18982 191.2
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

No patent data available for this compound.