CID 5043752

1-(3-methylphenyl)-3-phenylurea

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O/c1-11-6-5-9-13(10-11)16-14(17)15-12-7-3-2-4-8-12/h2-10H,1H3,(H2,15,16,17)
InChIKey
QNNRRIORNUMEQI-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

226.11061 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.3
[M+Na]+ 249.099828 156.2
[M-H]- 225.103334 157.0
[M+NH4]+ 244.144433 167.6
[M+K]+ 265.073768 152.7
[M+H-H2O]+ 209.107870 142.5
[M+HCOO]- 271.108811 176.2
[M+CH3COO]- 285.124461 193.7
[M+Na-2H]- 247.085276 157.2
[M]+ 226.11006142 148.3
[M]- 226.11115858 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe