CID 10017481

Vincanol

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)O
InChI
InChI=1S/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m0/s1
InChIKey
HONLKDDLTAZVQV-UHOSZYNNSA-N
Compound name
(15S,17S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

296.18887 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 171.1
[M+Na]+ 319.17809 178.1
[M-H]- 295.18159 171.8
[M+NH4]+ 314.22269 191.1
[M+K]+ 335.15203 171.3
[M+H-H2O]+ 279.18613 161.5
[M+HCOO]- 341.18707 180.6
[M+CH3COO]- 355.20272 180.1
[M+Na-2H]- 317.16354 175.5
[M]+ 296.18832 168.7
[M]- 296.18942 168.7
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