CID 173380

19-oxo-deoxycorticosterone

Structural Information

Molecular Formula
C21H28O4
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C=O
InChI
InChI=1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1
InChIKey
PDNIPWXQYQYCSU-ZOCXKQACSA-N
Compound name
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

344.19876 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.206036 183.7
[M+Na]+ 367.187978 188.2
[M-H]- 343.191484 186.3
[M+NH4]+ 362.232583 204.6
[M+K]+ 383.161918 182.7
[M+H-H2O]+ 327.196020 177.8
[M+HCOO]- 389.196961 192.2
[M+CH3COO]- 403.212611 211.3
[M+Na-2H]- 365.173426 183.1
[M]+ 344.19821142 177.9
[M]- 344.19930858 177.9
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.