CID 447695

2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid

Structural Information

Molecular Formula
C19H13NO6
SMILES
C1=CC=C(C(=C1)C(=O)O)N(C2=CC=CC3=C2C=C(C=C3)O)C(=O)C(=O)O
InChI
InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)
InChIKey
IGOULVZYQKJJKC-UHFFFAOYSA-N
Compound name
2-[(7-hydroxynaphthalen-1-yl)-oxaloamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

351.07428 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 176.2
[M+Na]+ 374.06350 181.7
[M-H]- 350.06700 181.4
[M+NH4]+ 369.10810 187.6
[M+K]+ 390.03744 179.4
[M+H-H2O]+ 334.07154 168.2
[M+HCOO]- 396.07248 194.2
[M+CH3COO]- 410.08813 211.9
[M+Na-2H]- 372.04895 178.1
[M]+ 351.07373 176.5
[M]- 351.07483 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe