CID 207065

O-isophthalotoluidide, 3',3''-dichloro-4-hydroxy-

Structural Information

Molecular Formula
C22H18Cl2N2O3
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=C(C(=CC=C3)Cl)C
InChI
InChI=1S/C22H18Cl2N2O3/c1-12-16(23)5-3-7-18(12)25-21(28)14-9-10-20(27)15(11-14)22(29)26-19-8-4-6-17(24)13(19)2/h3-11,27H,1-2H3,(H,25,28)(H,26,29)
InChIKey
QIWGSISKKVFYIK-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(3-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 199.1
[M+Na]+ 451.05868 207.7
[M-H]- 427.06218 207.6
[M+NH4]+ 446.10328 209.4
[M+K]+ 467.03262 200.4
[M+H-H2O]+ 411.06672 191.6
[M+HCOO]- 473.06766 212.1
[M+CH3COO]- 487.08331 229.6
[M+Na-2H]- 449.04413 198.0
[M]+ 428.06891 203.4
[M]- 428.07001 203.4
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.