CID 213277

Isophthalanilide, 4-hydroxy-

Structural Information

Molecular Formula
C20H16N2O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H16N2O3/c23-18-12-11-14(19(24)21-15-7-3-1-4-8-15)13-17(18)20(25)22-16-9-5-2-6-10-16/h1-13,23H,(H,21,24)(H,22,25)
InChIKey
PKYSCJRZVNPGMF-UHFFFAOYSA-N
Compound name
4-hydroxy-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.8
[M+Na]+ 355.10532 181.4
[M-H]- 331.10882 185.0
[M+NH4]+ 350.14992 188.2
[M+K]+ 371.07926 176.6
[M+H-H2O]+ 315.11336 167.2
[M+HCOO]- 377.11430 199.9
[M+CH3COO]- 391.12995 211.2
[M+Na-2H]- 353.09077 180.9
[M]+ 332.11555 174.2
[M]- 332.11665 174.2
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

patents stripe