CID 13370097

Azoluron

Structural Information

Molecular Formula

C₁₂H₁₄N₄O

SMILES

CCN1C(=CC=N1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O/c1-2-16-11(8-9-13-16)15-12(17)14-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,14,15,17)

InChIKey

VXCPRNLPDPYSLT-UHFFFAOYSA-N

Compound name

1-(2-ethylpyrazol-3-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 230.11676 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]+	231.124036	150.7
[M+Na]+	253.105978	157.4
[M-H]-	229.109484	155.1
[M+NH4]+	248.150583	167.0
[M+K]+	269.079918	154.2
[M+H-H2O]+	213.114020	141.6
[M+HCOO]-	275.114961	175.5
[M+CH3COO]-	289.130611	192.9
[M+Na-2H]-	251.091426	156.5
[M]+	230.11621142	149.9
[M]-	230.11730858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe