CID 109846

1-naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-hydroxy-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 177.4
[M+Na]+ 381.05157 184.8
[M-H]- 357.05507 182.2
[M+NH4]+ 376.09617 189.1
[M+K]+ 397.02551 179.6
[M+H-H2O]+ 341.05961 170.1
[M+HCOO]- 403.06055 192.5
[M+CH3COO]- 417.07620 211.8
[M+Na-2H]- 379.03702 182.0
[M]+ 358.06180 178.0
[M]- 358.06290 178.0
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