CID 45051127

N-(2-benzylphenyl)-n'-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C20H16Cl2N2O
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H16Cl2N2O/c21-17-11-10-16(13-18(17)22)23-20(25)24-19-9-5-4-8-15(19)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H2,23,24,25)
InChIKey
ZXRHNTAADWWKEF-UHFFFAOYSA-N
Compound name
1-(2-benzylphenyl)-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06396 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07124 185.9
[M+Na]+ 393.05318 193.6
[M-H]- 369.05668 194.5
[M+NH4]+ 388.09778 198.7
[M+K]+ 409.02712 185.4
[M+H-H2O]+ 353.06122 177.8
[M+HCOO]- 415.06216 201.3
[M+CH3COO]- 429.07781 195.9
[M+Na-2H]- 391.03863 189.2
[M]+ 370.06341 188.3
[M]- 370.06451 188.3
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.