CID 3633985

6357-75-1

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
C1=CC(=CC=C1NC2=C3C=CC(=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)13-6-5-12(9-14(13)15)23(20,21)22/h1-9,18-19H,17H2,(H,20,21,22)
InChIKey
CAUOCGDGBOJRSS-UHFFFAOYSA-N
Compound name
8-amino-5-(4-hydroxyanilino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 171.5
[M+Na]+ 353.05662 183.6
[M+NH4]+ 348.10122 178.3
[M+K]+ 369.03056 176.4
[M-H]- 329.06012 175.2
[M+Na-2H]- 351.04207 178.5
[M]+ 330.06685 174.6
[M]- 330.06795 174.6
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