CID 3050107

6-oxovincaminol

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(C(=O)C3)C5=CC=CC=C5N4[C@](C2)(CO)O
InChI
InChI=1S/C20H24N2O3/c1-2-19-8-5-9-21-10-15(24)16-13-6-3-4-7-14(13)22(17(16)18(19)21)20(25,11-19)12-23/h3-4,6-7,18,23,25H,2,5,8-12H2,1H3/t18-,19+,20+/m1/s1
InChIKey
COGMACGTCIDTOI-AABGKKOBSA-N
Compound name
(15S,17S,19S)-15-ethyl-17-hydroxy-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.17868 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.4
[M+Na]+ 363.16790 194.3
[M+NH4]+ 358.21250 193.8
[M+K]+ 379.14184 184.7
[M-H]- 339.17140 183.1
[M+Na-2H]- 361.15335 184.4
[M]+ 340.17813 184.5
[M]- 340.17923 184.5
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