CID 105958

67875-33-6

Structural Information

Molecular Formula
C14H13N4O5S
SMILES
COC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)OC)[N+]#N
InChI
InChI=1S/C14H12N4O5S/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)24(19,20)21/h3-8H,1-2H3/p+1
InChIKey
CHMCPDXYPUFLNJ-UHFFFAOYSA-O
Compound name
2,5-dimethoxy-4-[(4-sulfophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06067 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06795 172.5
[M+Na]+ 372.04989 184.4
[M+NH4]+ 367.09449 175.8
[M+K]+ 388.02383 175.7
[M-H]- 348.05339 170.3
[M+Na-2H]- 370.03534 178.0
[M]+ 349.06012 173.3
[M]- 349.06122 173.3
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.