CID 80832

Benzoic acid, 5-(2-(4-(acetylamino)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:1)

Structural Information

Molecular Formula
C15H13N3O4
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H13N3O4/c1-9(19)16-10-2-4-11(5-3-10)17-18-12-6-7-14(20)13(8-12)15(21)22/h2-8,20H,1H3,(H,16,19)(H,21,22)
InChIKey
RJUGZVKZEAXWKP-UHFFFAOYSA-N
Compound name
5-[(4-acetamidophenyl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

299.0906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 165.7
[M+Na]+ 322.07982 171.9
[M-H]- 298.08332 173.0
[M+NH4]+ 317.12442 179.6
[M+K]+ 338.05376 169.7
[M+H-H2O]+ 282.08786 157.0
[M+HCOO]- 344.08880 192.1
[M+CH3COO]- 358.10445 210.5
[M+Na-2H]- 320.06527 170.0
[M]+ 299.09005 166.3
[M]- 299.09115 166.3
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

patents stripe