CID 113031

63133-78-8

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC(=O)NC1=CC=CC2=C1C=CC(=C2O)C(=O)O
InChI
InChI=1S/C13H11NO4/c1-7(15)14-11-4-2-3-9-8(11)5-6-10(12(9)16)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKey
JPUYRWWCTSJJED-UHFFFAOYSA-N
Compound name
5-acetamido-1-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 150.8
[M+Na]+ 268.058018 158.7
[M-H]- 244.061524 153.3
[M+NH4]+ 263.102623 167.7
[M+K]+ 284.031958 155.6
[M+H-H2O]+ 228.066060 144.9
[M+HCOO]- 290.067001 171.1
[M+CH3COO]- 304.082651 192.4
[M+Na-2H]- 266.043466 155.2
[M]+ 245.06825142 150.7
[M]- 245.06934858 150.7
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