CID 25015

Trenbolone

Structural Information

Molecular Formula
C18H22O2
SMILES
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1
InChIKey
MEHHPFQKXOUFFV-OWSLCNJRSA-N
Compound name
(8S,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

699
References

1510
Patents

270.162 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 163.8
[M+Na]+ 293.15122 170.8
[M-H]- 269.15472 167.9
[M+NH4]+ 288.19582 186.5
[M+K]+ 309.12516 164.8
[M+H-H2O]+ 253.15926 157.8
[M+HCOO]- 315.16020 177.1
[M+CH3COO]- 329.17585 174.5
[M+Na-2H]- 291.13667 166.2
[M]+ 270.16145 158.6
[M]- 270.16255 158.6
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