CID 5493348

26989-32-2

Structural Information

Molecular Formula
C19H23NO2
SMILES
C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C19H23NO2/c1-2-8-20-9-7-19-12-15(22)5-6-16(19)18(20)10-13-3-4-14(21)11-17(13)19/h2-4,11,16,18,21H,1,5-10,12H2/t16-,18+,19-/m0/s1
InChIKey
XXJGKEKTYNBRRE-UHOSZYNNSA-N
Compound name
(1S,9R,10R)-4-hydroxy-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.1
[M+Na]+ 320.16210 185.4
[M+NH4]+ 315.20670 183.6
[M+K]+ 336.13604 175.0
[M-H]- 296.16560 176.0
[M+Na-2H]- 318.14755 176.9
[M]+ 297.17233 175.8
[M]- 297.17343 175.8
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.