CID 118846

Urea, 1-isopropyl-3-(2-oxazolyl)-

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC(C)NC(=O)NC1=NC=CO1

InChI

InChI=1S/C7H11N3O2/c1-5(2)9-6(11)10-7-8-3-4-12-7/h3-5H,1-2H3,(H2,8,9,10,11)

InChIKey

GSRJCDLPHKEVFW-UHFFFAOYSA-N

Compound name

1-(1,3-oxazol-2-yl)-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.08513 Da
Monoisotopic Mass: 0.5
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]+	170.09241	136.7
[M+Na]+	192.07435	145.0
[M+NH4]+	187.11895	143.2
[M+K]+	208.04829	143.6
[M-H]-	168.07785	138.4
[M+Na-2H]-	190.05980	140.6
[M]+	169.08458	137.8
[M]-	169.08568	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe