CID 11807837

14935-81-0

Structural Information

Molecular Formula
C19H28O
SMILES
C[C@]12CCC=C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI
InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey
RJWNCDOWHNLVPF-HKQXQEGQSA-N
Compound name
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

38
Patents

272.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.221296 169.0
[M+Na]+ 295.203238 174.1
[M-H]- 271.206744 173.3
[M+NH4]+ 290.247843 193.8
[M+K]+ 311.177178 168.3
[M+H-H2O]+ 255.211280 162.1
[M+HCOO]- 317.212221 180.1
[M+CH3COO]- 331.227871 178.8
[M+Na-2H]- 293.188686 170.3
[M]+ 272.21347142 161.2
[M]- 272.21456858 161.2
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