CID 627180

Ns00005624

Structural Information

Molecular Formula
C20H28O2
SMILES
CC1CC(=O)C=C2C1(C3CCC4(C(C3CC2)CCC4=O)C)C
InChI
InChI=1S/C20H28O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-17H,4-10H2,1-3H3
InChIKey
OYGFFDKBBBWEGR-UHFFFAOYSA-N
Compound name
1,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

300.20892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.216196 173.5
[M+Na]+ 323.198138 180.2
[M-H]- 299.201644 178.3
[M+NH4]+ 318.242743 197.6
[M+K]+ 339.172078 174.3
[M+H-H2O]+ 283.206180 167.3
[M+HCOO]- 345.207121 184.5
[M+CH3COO]- 359.222771 183.6
[M+Na-2H]- 321.183586 173.6
[M]+ 300.20837142 167.7
[M]- 300.20946858 167.7
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.