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

17245
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

literature stripe

Patent stripe

patents stripe