CID 6917973

Vintoperol

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC[C@@]1(CCCN2[C@@H]1C3=C(CC2)C4=CC=CC=C4N3)CO
InChI
InChI=1S/C18H24N2O/c1-2-18(12-21)9-5-10-20-11-8-14-13-6-3-4-7-15(13)19-16(14)17(18)20/h3-4,6-7,17,19,21H,2,5,8-12H2,1H3/t17-,18-/m1/s1
InChIKey
BKRBRZLECKMEBD-QZTJIDSGSA-N
Compound name
[(1S,12bS)-1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

431
Patents

284.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 169.1
[M+Na]+ 307.17809 176.6
[M-H]- 283.18159 169.4
[M+NH4]+ 302.22269 187.8
[M+K]+ 323.15203 169.3
[M+H-H2O]+ 267.18613 160.9
[M+HCOO]- 329.18707 180.9
[M+CH3COO]- 343.20272 178.4
[M+Na-2H]- 305.16354 173.3
[M]+ 284.18832 165.1
[M]- 284.18942 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe