CID 3059270

76267-34-0

Structural Information

Molecular Formula

C₁₁H₁₄ClN₃O₂

SMILES

CC1=CC=CC=C1NC(=O)N(CCCl)C(=O)N

InChI

InChI=1S/C11H14ClN3O2/c1-8-4-2-3-5-9(8)14-11(17)15(7-6-12)10(13)16/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)

InChIKey

SGIBRCTUENYITF-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-(2-chloroethyl)-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.07745 Da
Monoisotopic Mass: 1.8
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]+	256.084726	157.9
[M+Na]+	278.066668	163.9
[M-H]-	254.070174	162.4
[M+NH4]+	273.111273	175.2
[M+K]+	294.040608	161.4
[M+H-H2O]+	238.074710	151.6
[M+HCOO]-	300.075651	179.1
[M+CH3COO]-	314.091301	202.1
[M+Na-2H]-	276.052116	160.3
[M]+	255.07690142	159.0
[M]-	255.07799858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe