CID 131769931

20-dihydrodydrogesterone

Structural Information

Molecular Formula
C23H34
SMILES
CC(C)C1CCC2C1(CCC3C2C=CC4=CC(=C)CCC34C)C
InChI
InChI=1S/C23H34/c1-15(2)19-8-9-20-18-7-6-17-14-16(3)10-12-22(17,4)21(18)11-13-23(19,20)5/h6-7,14-15,18-21H,3,8-13H2,1-2,4-5H3
InChIKey
YUDUQGLCBDGGNA-UHFFFAOYSA-N
Compound name
10,13-dimethyl-3-methylidene-17-propan-2-yl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.26605 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.27333 181.3
[M+Na]+ 333.25527 186.3
[M-H]- 309.25877 185.5
[M+NH4]+ 328.29987 204.8
[M+K]+ 349.22921 179.4
[M+H-H2O]+ 293.26331 174.3
[M+HCOO]- 355.26425 191.2
[M+CH3COO]- 369.27990 190.2
[M+Na-2H]- 331.24072 179.5
[M]+ 310.26550 174.4
[M]- 310.26660 174.4
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