CID 6230

Norethindrone

Structural Information

Molecular Formula
C20H26O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
VIKNJXKGJWUCNN-XGXHKTLJSA-N
Compound name
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4907
References

119359
Patents

298.19327 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 176.8
[M+Na]+ 321.18249 187.5
[M-H]- 297.18599 179.2
[M+NH4]+ 316.22709 198.0
[M+K]+ 337.15643 173.8
[M+H-H2O]+ 281.19053 165.9
[M+HCOO]- 343.19147 182.5
[M+CH3COO]- 357.20712 185.0
[M+Na-2H]- 319.16794 176.7
[M]+ 298.19272 165.0
[M]- 298.19382 165.0
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.