CID 210143

Deoxyvincamine

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)C(=O)OC
InChI
InChI=1S/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19-,21+/m1/s1
InChIKey
BOAFIDYFQWIRTC-QFUCXCTJSA-N
Compound name
methyl (15S,17R,19S)-15-ethyl-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
1
Annotation Hits

0
References

143
Patents

338.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.1
[M+Na]+ 361.18865 195.6
[M+NH4]+ 356.23325 194.1
[M+K]+ 377.16259 187.0
[M-H]- 337.19215 185.0
[M+Na-2H]- 359.17410 184.9
[M]+ 338.19888 185.6
[M]- 338.19998 185.6
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