CID 3819913

N'-(3-chlorophenyl)-n,n-diphenylurea

Structural Information

Molecular Formula
C19H15ClN2O
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H15ClN2O/c20-15-8-7-9-16(14-15)21-19(23)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,(H,21,23)
InChIKey
GFXBXRNKFBNOAV-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.08728 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09456 174.6
[M+Na]+ 345.07650 180.6
[M-H]- 321.08000 185.0
[M+NH4]+ 340.12110 188.8
[M+K]+ 361.05044 174.9
[M+H-H2O]+ 305.08454 165.5
[M+HCOO]- 367.08548 195.9
[M+CH3COO]- 381.10113 185.7
[M+Na-2H]- 343.06195 180.1
[M]+ 322.08673 175.5
[M]- 322.08783 175.5
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.