CID 172643734

Tcs-cortho-c'ortho-tcc

Structural Information

Molecular Formula
C25H14Cl6N2O3
SMILES
C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)Cl)C3=C(C=CC(=C3O)OC4=C(C=C(C=C4)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C25H14Cl6N2O3/c26-12-1-6-20(33-25(35)32-14-3-4-16(28)18(30)11-14)15(9-12)23-17(29)5-8-22(24(23)34)36-21-7-2-13(27)10-19(21)31/h1-11,34H,(H2,32,33,35)
InChIKey
CAWJHCNZWVFAPL-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-[6-chloro-3-(2,4-dichlorophenoxy)-2-hydroxyphenyl]phenyl]-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.9136 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.92088 222.9
[M+Na]+ 622.90282 230.7
[M-H]- 598.90632 225.9
[M+NH4]+ 617.94742 226.2
[M+K]+ 638.87676 226.2
[M+H-H2O]+ 582.91086 216.2
[M+HCOO]- 644.91180 215.4
[M+CH3COO]- 658.92745 226.4
[M+Na-2H]- 620.88827 216.9
[M]+ 599.91305 225.6
[M]- 599.91415 225.6
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.