CID 625380

Pd043070

Structural Information

Molecular Formula
C19H26O2
SMILES
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(=O)C4)C
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3
InChIKey
SQGZFRITSMYKRH-UHFFFAOYSA-N
Compound name
10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

291
Patents

286.19327 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 171.8
[M+Na]+ 309.18249 181.7
[M+NH4]+ 304.22709 184.8
[M+K]+ 325.15643 171.7
[M-H]- 285.18599 174.7
[M+Na-2H]- 307.16794 174.8
[M]+ 286.19272 174.2
[M]- 286.19382 174.2
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

patents stripe