CID 459350

4-[(3-hydroxynaphthalene-2-carbonyl)amino]phthalic acid

Structural Information

Molecular Formula
C19H13NO6
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O)O
InChI
InChI=1S/C19H13NO6/c21-16-8-11-4-2-1-3-10(11)7-15(16)17(22)20-12-5-6-13(18(23)24)14(9-12)19(25)26/h1-9,21H,(H,20,22)(H,23,24)(H,25,26)
InChIKey
UPWHKOWLMKGHJP-UHFFFAOYSA-N
Compound name
4-[(3-hydroxynaphthalene-2-carbonyl)amino]phthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07428 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 176.5
[M+Na]+ 374.06350 182.6
[M-H]- 350.06700 180.6
[M+NH4]+ 369.10810 187.4
[M+K]+ 390.03744 179.1
[M+H-H2O]+ 334.07154 168.7
[M+HCOO]- 396.07248 193.9
[M+CH3COO]- 410.08813 210.8
[M+Na-2H]- 372.04895 178.3
[M]+ 351.07373 176.0
[M]- 351.07483 176.0
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.