CID 102122

Nandrolone acetate

Structural Information

Molecular Formula
C20H28O3
SMILES
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C
InChI
InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
TTWYUPSVWLOIRF-XGXHKTLJSA-N
Compound name
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

105
Patents

316.20386 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 177.4
[M+Na]+ 339.19308 181.5
[M-H]- 315.19658 181.5
[M+NH4]+ 334.23768 198.4
[M+K]+ 355.16702 176.9
[M+H-H2O]+ 299.20112 171.0
[M+HCOO]- 361.20206 187.6
[M+CH3COO]- 375.21771 208.9
[M+Na-2H]- 337.17853 176.1
[M]+ 316.20331 171.7
[M]- 316.20441 171.7
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.