CID 282902

8-hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3h)-one

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]+ 304.227096 176.0
[M+Na]+ 326.209038 180.5
[M-H]- 302.212544 178.1
[M+NH4]+ 321.253643 195.8
[M+K]+ 342.182978 175.6
[M+H-H2O]+ 286.217080 169.8
[M+HCOO]- 348.218021 183.1
[M+CH3COO]- 362.233671 183.7
[M+Na-2H]- 324.194486 176.0
[M]+ 303.21927142 164.8
[M]- 303.22036858 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.