CID 119839

17-hydroxy-4,17-dimethylandrost-4-en-3-one

Structural Information

Molecular Formula
C21H32O2
SMILES
CC1=C2CCC3C(C2(CCC1=O)C)CCC4(C3CCC4(C)O)C
InChI
InChI=1S/C21H32O2/c1-13-15-6-5-14-16(19(15,2)10-9-18(13)22)7-11-20(3)17(14)8-12-21(20,4)23/h14,16-17,23H,5-12H2,1-4H3
InChIKey
QVYNWPHQQYUBFK-UHFFFAOYSA-N
Compound name
17-hydroxy-4,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.24023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 179.0
[M+Na]+ 339.22945 185.8
[M-H]- 315.23295 182.5
[M+NH4]+ 334.27405 203.8
[M+K]+ 355.20339 179.5
[M+H-H2O]+ 299.23749 173.1
[M+HCOO]- 361.23843 187.9
[M+CH3COO]- 375.25408 188.3
[M+Na-2H]- 337.21490 179.4
[M]+ 316.23968 173.1
[M]- 316.24078 173.1
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.