CID 853562

5244-43-9

Structural Information

Molecular Formula

C₁₁H₁₀N₄O

SMILES

C1=CC=C(C=C1)NC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C11H10N4O/c16-11(14-9-5-2-1-3-6-9)15-10-12-7-4-8-13-10/h1-8H,(H2,12,13,14,15,16)

InChIKey

FGIXXUFWNVKYHA-UHFFFAOYSA-N

Compound name

1-phenyl-3-pyrimidin-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 214.08546 Da
Monoisotopic Mass: 1.1
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]+	215.092736	144.8
[M+Na]+	237.074678	151.2
[M-H]-	213.078184	148.8
[M+NH4]+	232.119283	159.5
[M+K]+	253.048618	147.8
[M+H-H2O]+	197.082720	135.5
[M+HCOO]-	259.083661	169.1
[M+CH3COO]-	273.099311	189.0
[M+Na-2H]-	235.060126	154.6
[M]+	214.08491142	142.4
[M]-	214.08600858	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe