CID 5284597

Normethandrone

Structural Information

Molecular Formula
C19H28O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey
ZXSWTMLNIIZPET-ZOFHRBRSSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

70
References

1982
Patents

288.20892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 172.3
[M+Na]+ 311.19814 181.7
[M+NH4]+ 306.24274 185.3
[M+K]+ 327.17208 172.1
[M-H]- 287.20164 175.0
[M+Na-2H]- 309.18359 174.9
[M]+ 288.20837 174.6
[M]- 288.20947 174.6
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