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
2
Annotation Hits

1
References

117
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.