CID 282902

Chembl386857

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC12CCC3C(C1CCC2O)CCC4=CC(=O)NCCC34C
InChI
InChI=1S/C19H29NO2/c1-18-9-10-20-17(22)11-12(18)3-4-13-14-5-6-16(21)19(14,2)8-7-15(13)18/h11,13-16,21H,3-10H2,1-2H3,(H,20,22)
InChIKey
UJPILRQDXJVBHX-UHFFFAOYSA-N
Compound name
1-hydroxy-10a,12a-dimethyl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.21982 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.0
[M+Na]+ 326.20904 180.5
[M-H]- 302.21254 178.1
[M+NH4]+ 321.25364 195.8
[M+K]+ 342.18298 175.6
[M+H-H2O]+ 286.21708 169.8
[M+HCOO]- 348.21802 183.1
[M+CH3COO]- 362.23367 183.7
[M+Na-2H]- 324.19449 176.0
[M]+ 303.21927 164.8
[M]- 303.22037 164.8
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

No patent data available for this compound.