CID 6918305

Ganaxolone

Structural Information

Molecular Formula
C22H36O2
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(C)O)C)C
InChI
InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
InChIKey
PGTVWKLGGCQMBR-FLBATMFCSA-N
Compound name
1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

145
References

2144
Patents

332.27155 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 186.0
[M+Na]+ 355.26077 190.1
[M-H]- 331.26427 188.4
[M+NH4]+ 350.30537 209.7
[M+K]+ 371.23471 184.3
[M+H-H2O]+ 315.26881 180.1
[M+HCOO]- 377.26975 192.0
[M+CH3COO]- 391.28540 193.8
[M+Na-2H]- 353.24622 184.2
[M]+ 332.27100 177.9
[M]- 332.27210 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.