CID 173453

Einecs 278-279-5

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 183.6
[M+Na]+ 400.07262 193.4
[M-H]- 376.07612 193.3
[M+NH4]+ 395.11722 197.4
[M+K]+ 416.04656 187.5
[M+H-H2O]+ 360.08066 174.6
[M+HCOO]- 422.08160 204.8
[M+CH3COO]- 436.09725 194.8
[M+Na-2H]- 398.05807 193.3
[M]+ 377.08285 187.8
[M]- 377.08395 187.8
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