CID 501167

2-(2,5-dimethyl-phenyl)-2-(1-oxy-pyridine-2-sulfonyl)-acetamide

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
CC1=CC(=C(C=C1)C)C(C(=O)N)S(=O)(=O)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C15H16N2O4S/c1-10-6-7-11(2)12(9-10)14(15(16)18)22(20,21)13-5-3-4-8-17(13)19/h3-9,14H,1-2H3,(H2,16,18)
InChIKey
CSHGXIJCDJNGTA-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08307 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 169.8
[M+Na]+ 343.07229 176.5
[M-H]- 319.07579 173.9
[M+NH4]+ 338.11689 181.3
[M+K]+ 359.04623 167.2
[M+H-H2O]+ 303.08033 166.7
[M+HCOO]- 365.08127 184.4
[M+CH3COO]- 379.09692 196.3
[M+Na-2H]- 341.05774 173.1
[M]+ 320.08252 168.6
[M]- 320.08362 168.6
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.