CID 207066

Isophthalanilide, 4',4''-dichloro-4-hydroxy-

Structural Information

Molecular Formula
C20H14Cl2N2O3
SMILES
C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H14Cl2N2O3/c21-13-2-6-15(7-3-13)23-19(26)12-1-10-18(25)17(11-12)20(27)24-16-8-4-14(22)5-9-16/h1-11,25H,(H,23,26)(H,24,27)
InChIKey
IKCPIICBLKVQFZ-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(4-chlorophenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.03815 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.04543 189.5
[M+Na]+ 423.02737 197.3
[M-H]- 399.03087 197.6
[M+NH4]+ 418.07197 200.4
[M+K]+ 439.00131 190.1
[M+H-H2O]+ 383.03541 182.0
[M+HCOO]- 445.03635 203.2
[M+CH3COO]- 459.05200 221.2
[M+Na-2H]- 421.01282 191.0
[M]+ 400.03760 192.3
[M]- 400.03870 192.3
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.