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
2
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]+ 331.07468 170.6
[M+Na]+ 353.05662 178.9
[M-H]- 329.06012 175.6
[M+NH4]+ 348.10122 183.7
[M+K]+ 369.03056 172.9
[M+H-H2O]+ 313.06466 163.5
[M+HCOO]- 375.06560 186.7
[M+CH3COO]- 389.08125 206.9
[M+Na-2H]- 351.04207 176.4
[M]+ 330.06685 170.8
[M]- 330.06795 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