CID 3307285

19102-30-8

Structural Information

Molecular Formula

C₉H₁₂ClN₃O

SMILES

CN(C)NC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H12ClN3O/c1-13(2)12-9(14)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H2,11,12,14)

InChIKey

HULGFKUVDKFEMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.0669 Da
Monoisotopic Mass: 2.1
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]+	214.07418	146.2
[M+Na]+	236.05612	153.0
[M-H]-	212.05962	151.4
[M+NH4]+	231.10072	165.6
[M+K]+	252.03006	150.8
[M+H-H2O]+	196.06416	140.2
[M+HCOO]-	258.06510	169.2
[M+CH3COO]-	272.08075	195.2
[M+Na-2H]-	234.04157	151.9
[M]+	213.06635	147.5
[M]-	213.06745	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe