CID 487032

N-[3-(2-nitrophenyl)sulfonyl-2-thienyl]acetamide

Structural Information

Molecular Formula
C12H10N2O5S2
SMILES
CC(=O)NC1=C(C=CS1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O5S2/c1-8(15)13-12-11(6-7-20-12)21(18,19)10-5-3-2-4-9(10)14(16)17/h2-7H,1H3,(H,13,15)
InChIKey
WZVCZYOSYIWWAD-UHFFFAOYSA-N
Compound name
N-[3-(2-nitrophenyl)sulfonylthiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.0031 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01038 170.7
[M+Na]+ 348.99232 176.9
[M-H]- 324.99582 177.4
[M+NH4]+ 344.03692 185.2
[M+K]+ 364.96626 168.1
[M+H-H2O]+ 309.00036 168.3
[M+HCOO]- 371.00130 185.8
[M+CH3COO]- 385.01695 196.4
[M+Na-2H]- 346.97777 174.6
[M]+ 326.00255 171.2
[M]- 326.00365 171.2
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.