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]+ 345.20604 184.8
[M+Na]+ 367.18798 192.4
[M+NH4]+ 362.23258 195.5
[M+K]+ 383.16192 184.1
[M-H]- 343.19148 185.6
[M+Na-2H]- 365.17343 185.6
[M]+ 344.19821 186.0
[M]- 344.19931 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe