CID 251940

2-acetamido-5-(4-nitrophenylsulfonyl)-thiazole

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 169.1
[M+Na]+ 349.98757 175.8
[M-H]- 325.99107 174.9
[M+NH4]+ 345.03217 182.3
[M+K]+ 365.96151 167.1
[M+H-H2O]+ 309.99561 166.3
[M+HCOO]- 371.99655 183.4
[M+CH3COO]- 386.01220 196.1
[M+Na-2H]- 347.97302 173.8
[M]+ 326.99780 169.6
[M]- 326.99890 169.6
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.