CID 86934

17075-31-9

Structural Information

Molecular Formula

C₉H₁₀ClN₃O₂

SMILES

CC(=O)NNC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H10ClN3O2/c1-6(14)12-13-9(15)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,14)(H2,11,13,15)

InChIKey

UBENNUHYTNPAOA-UHFFFAOYSA-N

Compound name

1-acetamido-3-(4-chlorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.04616 Da
Monoisotopic Mass: 1.1
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]+	228.053436	148.3
[M+Na]+	250.035378	155.1
[M-H]-	226.038884	152.2
[M+NH4]+	245.079983	166.5
[M+K]+	266.009318	152.0
[M+H-H2O]+	210.043420	142.6
[M+HCOO]-	272.044361	170.4
[M+CH3COO]-	286.060011	192.7
[M+Na-2H]-	248.020826	153.6
[M]+	227.04561142	148.3
[M]-	227.04670858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe