CID 215029

P-dimethylaminophenylurea

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

CN(C)C1=CC=C(C=C1)NC(=O)N

InChI

InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)

InChIKey

NKQIQZQGJMJLAK-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 179.10587 Da
Monoisotopic Mass: 0.4
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]+	180.11315	139.6
[M+Na]+	202.09509	149.2
[M+NH4]+	197.13969	147.3
[M+K]+	218.06903	144.4
[M-H]-	178.09859	142.9
[M+Na-2H]-	200.08054	145.9
[M]+	179.10532	141.5
[M]-	179.10642	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe