CID 113572

2-naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]-

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
C1=CC(=CC=C1NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)O
InChI
InChI=1S/C16H14N2O4S/c17-15-7-8-16(18-10-1-3-11(19)4-2-10)14-9-12(23(20,21)22)5-6-13(14)15/h1-9,18-19H,17H2,(H,20,21,22)
InChIKey
WMMPQNHKEHRMSH-UHFFFAOYSA-N
Compound name
5-amino-8-(4-hydroxyanilino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

330.0674 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.074676 170.6
[M+Na]+ 353.056618 178.9
[M-H]- 329.060124 175.6
[M+NH4]+ 348.101223 183.7
[M+K]+ 369.030558 172.9
[M+H-H2O]+ 313.064660 163.5
[M+HCOO]- 375.065601 186.7
[M+CH3COO]- 389.081251 206.9
[M+Na-2H]- 351.042066 176.4
[M]+ 330.06685142 170.8
[M]- 330.06794858 170.8
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