CID 80537

6300-22-7

Structural Information

Molecular Formula
C16H13N3O3S
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)O)N
InChI
InChI=1S/C16H13N3O3S/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22/h1-10H,17H2,(H,20,21,22)
InChIKey
COAVSGQDMBDKLG-UHFFFAOYSA-N
Compound name
3-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

327.06775 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07503 171.1
[M+Na]+ 350.05697 183.8
[M+NH4]+ 345.10157 178.8
[M+K]+ 366.03091 175.3
[M-H]- 326.06047 176.8
[M+Na-2H]- 348.04242 180.2
[M]+ 327.06720 174.9
[M]- 327.06830 174.9
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