CID 3689466

1,1-dibenzyl-3-(2-chlorophenyl)urea

Structural Information

Molecular Formula
C21H19ClN2O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C21H19ClN2O/c22-19-13-7-8-14-20(19)23-21(25)24(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,25)
InChIKey
PTRJYXNRJUCICR-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

350.1186 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12588 183.8
[M+Na]+ 373.10782 188.8
[M-H]- 349.11132 193.7
[M+NH4]+ 368.15242 196.7
[M+K]+ 389.08176 182.7
[M+H-H2O]+ 333.11586 174.2
[M+HCOO]- 395.11680 204.3
[M+CH3COO]- 409.13245 217.5
[M+Na-2H]- 371.09327 188.1
[M]+ 350.11805 185.2
[M]- 350.11915 185.2
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

patents stripe