CID 3074702

160807-92-1

Structural Information

Molecular Formula
C27H20Cl4N2O
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)NC(=O)NC(C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C27H20Cl4N2O/c28-19-13-9-17(10-14-19)25(21-5-1-3-7-23(21)30)32-27(34)33-26(18-11-15-20(29)16-12-18)22-6-2-4-8-24(22)31/h1-16,25-26H,(H2,32,33,34)
InChIKey
VWEREVVGYSTRBH-UHFFFAOYSA-N
Compound name
1,3-bis[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.03296 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.04024 228.3
[M+Na]+ 551.02218 245.5
[M+NH4]+ 546.06678 236.3
[M+K]+ 566.99612 233.1
[M-H]- 527.02568 236.7
[M+Na-2H]- 549.00763 238.6
[M]+ 528.03241 234.6
[M]- 528.03351 234.6
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.