PubChemLite - Methenolone enanthate (C27H42O3)

Structural Information

Molecular Formula

SMILES

CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C(=CC(=O)C4)C)C)C

InChI

InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1

InChIKey

TXUICONDJPYNPY-FRXWOFFRSA-N

Compound name

[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	415.32068	207.9
[M+Na]+	437.30262	215.5
[M+NH4]+	432.34722	218.7
[M+K]+	453.27656	205.3
[M-H]-	413.30612	209.7
[M+Na-2H]-	435.28807	208.0
[M]+	414.31285	209.6
[M]-	414.31395	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

415.32068

207.9

[M+Na]+

437.30262

215.5

[M+NH4]+

432.34722

218.7

[M+K]+

453.27656

205.3

[M-H]-

413.30612

209.7

[M+Na-2H]-

435.28807

208.0

[M]+

414.31285

209.6

[M]-

414.31395

209.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Methenolone enanthate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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