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 217.2
[M+Na]+ 551.02218 223.0
[M-H]- 527.02568 224.8
[M+NH4]+ 546.06678 223.3
[M+K]+ 566.99612 214.7
[M+H-H2O]+ 511.03022 208.5
[M+HCOO]- 573.03116 218.9
[M+CH3COO]- 587.04681 222.8
[M+Na-2H]- 549.00763 214.7
[M]+ 528.03241 220.2
[M]- 528.03351 220.2
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.