CID 67074

119-77-7

Structural Information

Molecular Formula
C17H14N2O5S
SMILES
C1=CC(=CC=C1C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)N
InChI
InChI=1S/C17H14N2O5S/c18-12-3-1-10(2-4-12)17(21)19-13-5-6-15-11(7-13)8-14(9-16(15)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChIKey
BRIUJVAXLMLKPY-UHFFFAOYSA-N
Compound name
7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

119
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

literature stripe

Patent stripe

patents stripe