CID 20836437

71550-36-2

Structural Information

Molecular Formula
C15H17N2O6S
SMILES
COCCOCCOS(=O)(=O)C1=CC=CC2=C1C=CC(=C2O)[N+]#N
InChI
InChI=1S/C15H16N2O6S/c1-21-7-8-22-9-10-23-24(19,20)14-4-2-3-12-11(14)5-6-13(17-16)15(12)18/h2-6H,7-10H2,1H3/p+1
InChIKey
WHXKOVKTHBSMNZ-UHFFFAOYSA-O
Compound name
1-hydroxy-5-[2-(2-methoxyethoxy)ethoxysulfonyl]naphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08072 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08800 185.2
[M+Na]+ 376.06994 194.6
[M-H]- 352.07344 189.5
[M+NH4]+ 371.11454 197.6
[M+K]+ 392.04388 186.5
[M+H-H2O]+ 336.07798 174.2
[M+HCOO]- 398.07892 199.5
[M+CH3COO]- 412.09457 214.2
[M+Na-2H]- 374.05539 192.0
[M]+ 353.08017 187.3
[M]- 353.08127 187.3
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.