CID 504052

4'-(5-nitro-2-pyridinylsulfonyl)acetanilide

Structural Information

Molecular Formula
C13H11N3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O5S/c1-9(17)15-10-2-5-12(6-3-10)22(20,21)13-7-4-11(8-14-13)16(18)19/h2-8H,1H3,(H,15,17)
InChIKey
IYKDGKMCMYJTRJ-UHFFFAOYSA-N
Compound name
N-[4-(5-nitropyridin-2-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.04193 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04921 166.7
[M+Na]+ 344.03115 172.9
[M-H]- 320.03465 172.5
[M+NH4]+ 339.07575 178.2
[M+K]+ 360.00509 165.0
[M+H-H2O]+ 304.03919 162.8
[M+HCOO]- 366.04013 185.3
[M+CH3COO]- 380.05578 197.8
[M+Na-2H]- 342.01660 174.0
[M]+ 321.04138 166.8
[M]- 321.04248 166.8
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.