CID 439594

118371-41-8

Structural Information

Molecular Formula
C19H30O
SMILES
CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C
InChI
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3
InChIKey
VMNRNUNYBVFVQI-UHFFFAOYSA-N
Compound name
10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

274.22968 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.236956 170.6
[M+Na]+ 297.218898 174.7
[M-H]- 273.222404 174.5
[M+NH4]+ 292.263503 195.2
[M+K]+ 313.192838 169.0
[M+H-H2O]+ 257.226940 163.7
[M+HCOO]- 319.227881 180.2
[M+CH3COO]- 333.243531 179.8
[M+Na-2H]- 295.204346 170.8
[M]+ 274.22913142 161.3
[M]- 274.23022858 161.3
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.