CID 80707

6361-46-2

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 182.8
[M+Na]+ 395.06722 193.9
[M+NH4]+ 390.11182 188.2
[M+K]+ 411.04116 187.8
[M-H]- 371.07072 185.5
[M+Na-2H]- 393.05267 188.3
[M]+ 372.07745 185.3
[M]- 372.07855 185.3
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