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]+ 328.005626 169.1
[M+Na]+ 349.987568 175.8
[M-H]- 325.991074 174.9
[M+NH4]+ 345.032173 182.3
[M+K]+ 365.961508 167.1
[M+H-H2O]+ 309.995610 166.3
[M+HCOO]- 371.996551 183.4
[M+CH3COO]- 386.012201 196.1
[M+Na-2H]- 347.973016 173.8
[M]+ 326.99780142 169.6
[M]- 326.99889858 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.