CID 77306

3713-23-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 170.6
[M+Na]+ 350.05697 179.2
[M-H]- 326.06047 179.4
[M+NH4]+ 345.10157 185.4
[M+K]+ 366.03091 174.2
[M+H-H2O]+ 310.06501 162.3
[M+HCOO]- 372.06595 192.2
[M+CH3COO]- 386.08160 213.7
[M+Na-2H]- 348.04242 178.5
[M]+ 327.06720 172.8
[M]- 327.06830 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe