CID 318591

13252-22-7

Structural Information

Molecular Formula

C₁₅H₁₆N₄O₂

SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)N)NC(=O)N

InChI

InChI=1S/C15H16N4O2/c16-14(20)18-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19-15(17)21/h1-8H,9H2,(H3,16,18,20)(H3,17,19,21)

InChIKey

LMFOYEUWVQZEAW-UHFFFAOYSA-N

Compound name

[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 284.12732 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]+	285.13460	164.7
[M+Na]+	307.11654	169.2
[M-H]-	283.12004	170.5
[M+NH4]+	302.16114	178.3
[M+K]+	323.09048	165.8
[M+H-H2O]+	267.12458	155.9
[M+HCOO]-	329.12552	190.3
[M+CH3COO]-	343.14117	209.9
[M+Na-2H]-	305.10199	167.9
[M]+	284.12677	160.2
[M]-	284.12787	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe