CID 3455484

1,1-dibenzyl-3-(2,6-dichlorophenyl)urea

Structural Information

Molecular Formula
C21H18Cl2N2O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C21H18Cl2N2O/c22-18-12-7-13-19(23)20(18)24-21(26)25(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,24,26)
InChIKey
MCCYMQIZALQLHM-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2,6-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

384.07962 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08690 190.3
[M+Na]+ 407.06884 196.7
[M-H]- 383.07234 199.7
[M+NH4]+ 402.11344 202.7
[M+K]+ 423.04278 189.5
[M+H-H2O]+ 367.07688 181.5
[M+HCOO]- 429.07782 205.8
[M+CH3COO]- 443.09347 200.0
[M+Na-2H]- 405.05429 193.0
[M]+ 384.07907 193.9
[M]- 384.08017 193.9
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.