CID 781169

N-benzhydryl-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C20H17ClN2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H17ClN2O/c21-17-12-7-13-18(14-17)22-20(24)23-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H2,22,23,24)
InChIKey
MJLKZRTVYHMILO-UHFFFAOYSA-N
Compound name
1-benzhydryl-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10294 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.110216 178.6
[M+Na]+ 359.092158 183.7
[M-H]- 335.095664 187.5
[M+NH4]+ 354.136763 191.5
[M+K]+ 375.066098 177.0
[M+H-H2O]+ 319.100200 169.7
[M+HCOO]- 381.101141 198.2
[M+CH3COO]- 395.116791 188.7
[M+Na-2H]- 357.077606 183.2
[M]+ 336.10239142 178.0
[M]- 336.10348858 178.0
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

No patent data available for this compound.