CID 66359

Trenbolone acetate

Structural Information

Molecular Formula
C20H24O3
SMILES
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C
InChI
InChI=1S/C20H24O3/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/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1
InChIKey
CMRJPMODSSEAPL-FYQPLNBISA-N
Compound name
[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

670
References

1192
Patents

312.17255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17983 174.8
[M+Na]+ 335.16177 181.0
[M-H]- 311.16527 179.9
[M+NH4]+ 330.20637 196.2
[M+K]+ 351.13571 176.1
[M+H-H2O]+ 295.16981 168.3
[M+HCOO]- 357.17075 188.1
[M+CH3COO]- 371.18640 185.0
[M+Na-2H]- 333.14722 175.5
[M]+ 312.17200 172.0
[M]- 312.17310 172.0
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