CID 67046

M-aminobenzoyl j acid

Structural Information

Molecular Formula
C17H14N2O5S
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O
InChI
InChI=1S/C17H14N2O5S/c18-12-3-1-2-10(6-12)17(21)19-13-4-5-15-11(7-13)8-14(9-16(15)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKey
XONNZQRHMVHLNV-UHFFFAOYSA-N
Compound name
7-[(3-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

358.06235 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06963 177.8
[M+Na]+ 381.05157 188.8
[M+NH4]+ 376.09617 183.4
[M+K]+ 397.02551 182.8
[M-H]- 357.05507 180.5
[M+Na-2H]- 379.03702 183.8
[M]+ 358.06180 180.3
[M]- 358.06290 180.3
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