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

2
Patents

308.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.3
[M+Na]+ 331.141688 180.9
[M-H]- 307.145194 174.7
[M+NH4]+ 326.186293 192.5
[M+K]+ 347.115628 174.4
[M+H-H2O]+ 291.149730 162.6
[M+HCOO]- 353.150671 183.7
[M+CH3COO]- 367.166321 182.2
[M+Na-2H]- 329.127136 176.6
[M]+ 308.15192142 172.0
[M]- 308.15301858 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