CID 28737713

1-(2-aminophenyl)-3-(propan-2-yl)urea

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

CC(C)NC(=O)NC1=CC=CC=C1N

InChI

InChI=1S/C10H15N3O/c1-7(2)12-10(14)13-9-6-4-3-5-8(9)11/h3-7H,11H2,1-2H3,(H2,12,13,14)

InChIKey

NSDCLRAVBNOXQA-UHFFFAOYSA-N

Compound name

1-(2-aminophenyl)-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.1215 Da
Monoisotopic Mass: 1.0
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]+	194.12878	144.5
[M+Na]+	216.11072	153.3
[M+NH4]+	211.15532	151.7
[M+K]+	232.08466	148.6
[M-H]-	192.11422	147.2
[M+Na-2H]-	214.09617	149.9
[M]+	193.12095	146.1
[M]-	193.12205	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe