CID 169329

31600-99-4

Structural Information

Molecular Formula
C20H19N2O4S
SMILES
CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3O)[N+]#N
InChI
InChI=1S/C20H18N2O4S/c1-20(2,3)13-7-9-14(10-8-13)26-27(24,25)18-6-4-5-16-15(18)11-12-17(22-21)19(16)23/h4-12H,1-3H3/p+1
InChIKey
XPOZBIYYMBIUAO-UHFFFAOYSA-O
Compound name
5-(4-tert-butylphenoxy)sulfonyl-1-hydroxynaphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

383.10657 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11385 183.2
[M+Na]+ 406.09579 197.3
[M+NH4]+ 401.14039 187.8
[M+K]+ 422.06973 187.4
[M-H]- 382.09929 180.9
[M+Na-2H]- 404.08124 189.0
[M]+ 383.10602 184.7
[M]- 383.10712 184.7
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.