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 186.8
[M+Na]+ 372.04989 196.4
[M-H]- 348.05339 195.5
[M+NH4]+ 367.09449 198.6
[M+K]+ 388.02383 189.4
[M+H-H2O]+ 332.05793 173.8
[M+HCOO]- 394.05887 206.5
[M+CH3COO]- 408.07452 221.3
[M+Na-2H]- 370.03534 193.4
[M]+ 349.06012 187.0
[M]- 349.06122 187.0
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.