CID 3050104

6-oxovincamone

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(C(=O)C3)C5=CC=CC=C5N4C(=O)C2
InChI
InChI=1S/C19H20N2O2/c1-2-19-8-5-9-20-11-14(22)16-12-6-3-4-7-13(12)21(15(23)10-19)17(16)18(19)20/h3-4,6-7,18H,2,5,8-11H2,1H3/t18-,19+/m1/s1
InChIKey
VQKBXZQEVAGHKF-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)-tetraene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.3
[M+Na]+ 331.14169 180.9
[M-H]- 307.14519 174.7
[M+NH4]+ 326.18629 192.5
[M+K]+ 347.11563 174.4
[M+H-H2O]+ 291.14973 162.6
[M+HCOO]- 353.15067 183.7
[M+CH3COO]- 367.16632 182.2
[M+Na-2H]- 329.12714 176.6
[M]+ 308.15192 172.0
[M]- 308.15302 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe