CID 207057

29114-44-1

Structural Information

Molecular Formula
C22H18Cl2N2O3
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=C(C=CC(=C3)Cl)C
InChI
InChI=1S/C22H18Cl2N2O3/c1-12-3-6-15(23)10-18(12)25-21(28)14-5-8-20(27)17(9-14)22(29)26-19-11-16(24)7-4-13(19)2/h3-11,27H,1-2H3,(H,25,28)(H,26,29)
InChIKey
KFTMGXVFMUSIEW-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(5-chloro-2-methylphenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.06946 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.07674 201.3
[M+Na]+ 451.05868 216.9
[M+NH4]+ 446.10328 208.3
[M+K]+ 467.03262 208.2
[M-H]- 427.06218 207.7
[M+Na-2H]- 449.04413 209.8
[M]+ 428.06891 206.0
[M]- 428.07001 206.0
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.