PubChemLite - Furazabol (C20H30N2O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=NON=C5C4)C

InChI

InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3/t12-,13+,14-,15-,18-,19-,20-/m0/s1

InChIKey

RGLLOUBXMOGLDQ-IVEVATEUSA-N

Compound name

(1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol

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]+	331.23802	181.7
[M+Na]+	353.21996	189.1
[M-H]-	329.22346	184.2
[M+NH4]+	348.26456	204.2
[M+K]+	369.19390	183.7
[M+H-H2O]+	313.22800	173.3
[M+HCOO]-	375.22894	187.9
[M+CH3COO]-	389.24459	190.3
[M+Na-2H]-	351.20541	182.2
[M]+	330.23019	177.0
[M]-	330.23129	177.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

331.23802

181.7

[M+Na]+

353.21996

189.1

[M-H]-

329.22346

184.2

[M+NH4]+

348.26456

204.2

[M+K]+

369.19390

183.7

[M+H-H2O]+

313.22800

173.3

[M+HCOO]-

375.22894

187.9

[M+CH3COO]-

389.24459

190.3

[M+Na-2H]-

351.20541

182.2

[M]+

330.23019

177.0

[M]-

330.23129

177.0

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

Furazabol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe