CID 447411

Compound 5, 2-(naphthalen-1-yl-oxalyl-amino)-benzoicacid

Structural Information

Molecular Formula
C19H13NO5
SMILES
C1=CC=C2C(=C1)C=CC=C2N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O
InChI
InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)
InChIKey
WQWCUHJIERBOSM-UHFFFAOYSA-N
Compound name
2-[naphthalen-1-yl(oxalo)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

335.07938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08666 173.8
[M+Na]+ 358.06860 179.0
[M-H]- 334.07210 179.9
[M+NH4]+ 353.11320 186.3
[M+K]+ 374.04254 176.5
[M+H-H2O]+ 318.07664 165.5
[M+HCOO]- 380.07758 193.1
[M+CH3COO]- 394.09323 210.3
[M+Na-2H]- 356.05405 176.6
[M]+ 335.07883 173.9
[M]- 335.07993 173.9
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