CID 80707

2-naphthalenesulfonic acid, 7-[(4-amino-3-methylbenzoyl)amino]-4-hydroxy-

Structural Information

Molecular Formula
C18H16N2O5S
SMILES
CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)N
InChI
InChI=1S/C18H16N2O5S/c1-10-6-11(2-5-16(10)19)18(22)20-13-3-4-15-12(7-13)8-14(9-17(15)21)26(23,24)25/h2-9,21H,19H2,1H3,(H,20,22)(H,23,24,25)
InChIKey
HSSHAQANFGBAQC-UHFFFAOYSA-N
Compound name
7-[(4-amino-3-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.078 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08528 182.3
[M+Na]+ 395.06722 190.0
[M-H]- 371.07072 187.2
[M+NH4]+ 390.11182 193.6
[M+K]+ 411.04116 184.7
[M+H-H2O]+ 355.07526 174.9
[M+HCOO]- 417.07620 196.9
[M+CH3COO]- 431.09185 216.2
[M+Na-2H]- 393.05267 185.6
[M]+ 372.07745 183.6
[M]- 372.07855 183.6
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