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 239.3
[M+Na]+ 622.90282 255.0
[M+NH4]+ 617.94742 245.0
[M+K]+ 638.87676 243.4
[M-H]- 598.90632 244.5
[M+Na-2H]- 620.88827 245.2
[M]+ 599.91305 244.6
[M]- 599.91415 244.6
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.