CID 45051125

N-(2-benzylphenyl)-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C20H17ClN2O
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H17ClN2O/c21-17-10-6-11-18(14-17)22-20(24)23-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H2,22,23,24)
InChIKey
WPAAVQMINRFRGN-UHFFFAOYSA-N
Compound name
1-(2-benzylphenyl)-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10294 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11022 179.1
[M+Na]+ 359.09216 185.4
[M-H]- 335.09566 188.2
[M+NH4]+ 354.13676 192.4
[M+K]+ 375.06610 178.2
[M+H-H2O]+ 319.10020 170.1
[M+HCOO]- 381.10114 199.6
[M+CH3COO]- 395.11679 189.6
[M+Na-2H]- 357.07761 184.0
[M]+ 336.10239 179.4
[M]- 336.10349 179.4
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.