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]+ 337.11022 178.6
[M+Na]+ 359.09216 183.7
[M-H]- 335.09566 187.5
[M+NH4]+ 354.13676 191.5
[M+K]+ 375.06610 177.0
[M+H-H2O]+ 319.10020 169.7
[M+HCOO]- 381.10114 198.2
[M+CH3COO]- 395.11679 188.7
[M+Na-2H]- 357.07761 183.2
[M]+ 336.10239 178.0
[M]- 336.10349 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.