CID 67047

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

Structural Information

Molecular Formula
C17H15NO5S
SMILES
COC1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O
InChI
InChI=1S/C17H15NO5S/c1-23-14-5-2-12(3-6-14)18-13-4-7-16-11(8-13)9-15(10-17(16)19)24(20,21)22/h2-10,18-19H,1H3,(H,20,21,22)
InChIKey
SERHNKPMCYWTBI-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(4-methoxyanilino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

345.0671 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07438 174.9
[M+Na]+ 368.05632 183.3
[M-H]- 344.05982 180.4
[M+NH4]+ 363.10092 187.9
[M+K]+ 384.03026 178.3
[M+H-H2O]+ 328.06436 167.6
[M+HCOO]- 390.06530 190.5
[M+CH3COO]- 404.08095 207.2
[M+Na-2H]- 366.04177 180.6
[M]+ 345.06655 178.5
[M]- 345.06765 178.5
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