CID 173453

75627-24-6

Structural Information

Molecular Formula
C20H15N3O3S
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=C(C=C3)N)S(=O)(=O)O
InChI
InChI=1S/C20H15N3O3S/c21-18-10-11-20(16-9-8-14(12-17(16)18)27(24,25)26)23-22-19-7-3-5-13-4-1-2-6-15(13)19/h1-12H,21H2,(H,24,25,26)
InChIKey
JJHQFOBGXGZJBW-UHFFFAOYSA-N
Compound name
8-amino-5-(naphthalen-1-yldiazenyl)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

377.0834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09068 183.9
[M+Na]+ 400.07262 198.9
[M+NH4]+ 395.11722 192.2
[M+K]+ 416.04656 188.8
[M-H]- 376.07612 190.9
[M+Na-2H]- 398.05807 194.0
[M]+ 377.08285 188.6
[M]- 377.08395 188.6
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