CID 71203

Vinburnine

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2
InChI
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
InChIKey
WYJAPUKIYAZSEM-MOPGFXCFSA-N
Compound name
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

81
References

1192
Patents

294.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.5
[M+Na]+ 317.16244 185.3
[M+NH4]+ 312.20704 183.6
[M+K]+ 333.13638 175.8
[M-H]- 293.16594 174.2
[M+Na-2H]- 315.14789 174.5
[M]+ 294.17267 174.5
[M]- 294.17377 174.5
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