CID 111857

68938-69-2

Structural Information

Molecular Formula
C20H13N4O3S
SMILES
C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O
InChI
InChI=1S/C20H12N4O3S/c21-22-17-11-12-19(14-6-2-1-5-13(14)17)24-23-18-9-3-8-16-15(18)7-4-10-20(16)28(25,26)27/h1-12H/p+1
InChIKey
HWFRHZYWLYXURG-UHFFFAOYSA-O
Compound name
4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

389.07083 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.078106 207.2
[M+Na]+ 412.060048 218.9
[M-H]- 388.063554 216.2
[M+NH4]+ 407.104653 218.9
[M+K]+ 428.033988 206.3
[M+H-H2O]+ 372.068090 193.7
[M+HCOO]- 434.069031 225.1
[M+CH3COO]- 448.084681 229.1
[M+Na-2H]- 410.045496 216.8
[M]+ 389.07028142 205.9
[M]- 389.07137858 205.9
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

No patent data available for this compound.