CID 3085131

Vinpoline

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)C(=O)OCC(C)O
InChI
InChI=1S/C23H30N2O3/c1-3-23-10-6-11-24-12-9-17-16-7-4-5-8-18(16)25(20(17)21(23)24)19(13-23)22(27)28-14-15(2)26/h4-5,7-8,15,19,21,26H,3,6,9-14H2,1-2H3/t15?,19-,21-,23+/m1/s1
InChIKey
WCFTYXWKCDJUFP-YJNPREOBSA-N
Compound name
2-hydroxypropyl (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

30
Patents

382.22565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 194.1
[M+Na]+ 405.21487 198.3
[M-H]- 381.21837 194.0
[M+NH4]+ 400.25947 210.1
[M+K]+ 421.18881 192.8
[M+H-H2O]+ 365.22291 184.5
[M+HCOO]- 427.22385 200.4
[M+CH3COO]- 441.23950 200.7
[M+Na-2H]- 403.20032 194.9
[M]+ 382.22510 193.8
[M]- 382.22620 193.8
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

No patent data available for this compound.