CID 1380467

N-benzhydryl-n'-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C20H16Cl2N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H16Cl2N2O/c21-17-12-11-16(13-18(17)22)23-20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,23,24,25)
InChIKey
DZFFLNFMRULEJA-UHFFFAOYSA-N
Compound name
1-benzhydryl-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06396 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07124 185.0
[M+Na]+ 393.05318 191.5
[M-H]- 369.05668 193.4
[M+NH4]+ 388.09778 197.4
[M+K]+ 409.02712 183.8
[M+H-H2O]+ 353.06122 177.0
[M+HCOO]- 415.06216 199.5
[M+CH3COO]- 429.07781 194.7
[M+Na-2H]- 391.03863 188.1
[M]+ 370.06341 186.6
[M]- 370.06451 186.6
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.