CID 989140

86764-67-2

Structural Information

Molecular Formula
C21H18Cl2N2O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H18Cl2N2O/c22-19-12-11-18(13-20(19)23)24-21(26)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,26)
InChIKey
FBNMSCNGGVUDNJ-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

384.07962 Da
Monoisotopic Mass

5.7
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

literature stripe

Patent stripe

patents stripe