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
2
Annotation Hits

0
References

61
Patents

345.0671 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.074376 174.9
[M+Na]+ 368.056318 183.3
[M-H]- 344.059824 180.4
[M+NH4]+ 363.100923 187.9
[M+K]+ 384.030258 178.3
[M+H-H2O]+ 328.064360 167.6
[M+HCOO]- 390.065301 190.5
[M+CH3COO]- 404.080951 207.2
[M+Na-2H]- 366.041766 180.6
[M]+ 345.06655142 178.5
[M]- 345.06764858 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