CID 33603

1,1-diphenylurea

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C13H12N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)
InChIKey
XKAFKUGMXFMRCC-UHFFFAOYSA-N
Compound name
1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

6209
Patents

212.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 146.3
[M+Na]+ 235.08418 151.8
[M-H]- 211.08768 153.7
[M+NH4]+ 230.12878 164.1
[M+K]+ 251.05812 149.5
[M+H-H2O]+ 195.09222 138.3
[M+HCOO]- 257.09316 172.4
[M+CH3COO]- 271.10881 193.0
[M+Na-2H]- 233.06963 152.7
[M]+ 212.09441 143.9
[M]- 212.09551 143.9
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