CID 226638

6297-20-7

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

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

InChI

InChI=1S/C9H13N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13)

InChIKey

BLLVAMIYYPAARX-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 179.10587 Da
Monoisotopic Mass: 1.4
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	139.9
[M+Na]+	202.09509	149.4
[M+NH4]+	197.13969	147.8
[M+K]+	218.06903	144.2
[M-H]-	178.09859	143.3
[M+Na-2H]-	200.08054	146.9
[M]+	179.10532	141.9
[M]-	179.10642	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe