CID 67047

118-51-4

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

47
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 175.6
[M+Na]+ 368.05632 188.7
[M+NH4]+ 363.10092 182.5
[M+K]+ 384.03026 181.2
[M-H]- 344.05982 178.8
[M+Na-2H]- 366.04177 182.7
[M]+ 345.06655 178.9
[M]- 345.06765 178.9
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