CID 3049595

Urea, n-(2-chloro-6-methylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃ClN₄O

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)NC(=NC)N

InChI

InChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)14-10(16)15-9(12)13-2/h3-5H,1-2H3,(H4,12,13,14,15,16)

InChIKey

MUEGHHAWVCUQSL-UHFFFAOYSA-N

Compound name

1-(2-chloro-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 240.07779 Da
Monoisotopic Mass: 1.0
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]+	241.085066	155.3
[M+Na]+	263.067008	162.2
[M-H]-	239.070514	160.1
[M+NH4]+	258.111613	173.3
[M+K]+	279.040948	159.0
[M+H-H2O]+	223.075050	149.1
[M+HCOO]-	285.075991	178.5
[M+CH3COO]-	299.091641	201.9
[M+Na-2H]-	261.052456	158.8
[M]+	240.07724142	154.7
[M]-	240.07833858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe