CID 7595

1,3-diphenylurea

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey
GWEHVDNNLFDJLR-UHFFFAOYSA-N
Compound name
1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

38
References

18031
Patents

212.09496 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 145.4
[M+Na]+ 235.08418 150.9
[M-H]- 211.08768 151.9
[M+NH4]+ 230.12878 162.9
[M+K]+ 251.05812 147.5
[M+H-H2O]+ 195.09222 137.7
[M+HCOO]- 257.09316 171.7
[M+CH3COO]- 271.10881 189.6
[M+Na-2H]- 233.06963 153.7
[M]+ 212.09441 142.7
[M]- 212.09551 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.