CID 251940

7354-88-3

Structural Information

Molecular Formula
C11H9N3O5S2
SMILES
CC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O5S2/c1-7(15)13-11-12-6-10(20-11)21(18,19)9-4-2-8(3-5-9)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKey
HUYDNMDXUKPVQA-UHFFFAOYSA-N
Compound name
N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

326.99835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00563 164.8
[M+Na]+ 349.98757 174.2
[M+NH4]+ 345.03217 170.4
[M+K]+ 365.96151 171.6
[M-H]- 325.99107 166.9
[M+Na-2H]- 347.97302 169.7
[M]+ 326.99780 167.2
[M]- 326.99890 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.