CID 68861

Dienogest

Structural Information

Molecular Formula
C20H25NO2
SMILES
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O
InChI
InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey
AZFLJNIPTRTECV-FUMNGEBKSA-N
Compound name
2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

460
References

5581
Patents

311.18854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.3
[M+Na]+ 334.17776 186.8
[M+NH4]+ 329.22236 185.5
[M+K]+ 350.15170 174.2
[M-H]- 310.18126 172.2
[M+Na-2H]- 332.16321 177.8
[M]+ 311.18799 176.6
[M]- 311.18909 176.6
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