CID 135497698

Fenobam

Structural Information

Molecular Formula

C₁₁H₁₁ClN₄O₂

SMILES

CN1CC(=O)NC1=NC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)

InChIKey

DWPQODZAOSWNHB-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 70
References: 3221
Patents: 266.05707 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

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]+	267.06435	157.3
[M+Na]+	289.04629	167.7
[M+NH4]+	284.09089	163.4
[M+K]+	305.02023	164.1
[M-H]-	265.04979	159.1
[M+Na-2H]-	287.03174	162.3
[M]+	266.05652	159.0
[M]-	266.05762	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe