CID 470961

101439-83-2

Structural Information

Molecular Formula
C17H11NO5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)NC3=CC=C(C=C3)C(=O)O)O
InChI
InChI=1S/C17H11NO5/c19-14-11-3-1-2-4-12(11)15(20)16(21)13(14)18-10-7-5-9(6-8-10)17(22)23/h1-8,18-19H,(H,22,23)
InChIKey
IWYWZWHEEILCRP-UHFFFAOYSA-N
Compound name
4-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.06372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07100 165.7
[M+Na]+ 332.05294 174.0
[M-H]- 308.05644 171.4
[M+NH4]+ 327.09754 179.6
[M+K]+ 348.02688 169.6
[M+H-H2O]+ 292.06098 158.1
[M+HCOO]- 354.06192 185.7
[M+CH3COO]- 368.07757 205.0
[M+Na-2H]- 330.03839 169.5
[M]+ 309.06317 165.2
[M]- 309.06427 165.2
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.