CID 169329

Kjy26zx6v6

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 206.7
[M+Na]+ 406.09579 217.0
[M-H]- 382.09929 213.5
[M+NH4]+ 401.14039 217.8
[M+K]+ 422.06973 206.2
[M+H-H2O]+ 366.10383 195.0
[M+HCOO]- 428.10477 218.5
[M+CH3COO]- 442.12042 221.0
[M+Na-2H]- 404.08124 212.4
[M]+ 383.10602 205.0
[M]- 383.10712 205.0
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.