CID 2917755

446277-45-8

Structural Information

Molecular Formula
C12H16N2O5S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCS(=O)(=O)C2
InChI
InChI=1S/C12H16N2O5S2/c1-9(15)13-10-2-4-12(5-3-10)21(18,19)14-11-6-7-20(16,17)8-11/h2-5,11,14H,6-8H2,1H3,(H,13,15)
InChIKey
VDLLJVXKUITENX-UHFFFAOYSA-N
Compound name
N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05005 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05733 171.6
[M+Na]+ 355.03927 178.2
[M-H]- 331.04277 177.4
[M+NH4]+ 350.08387 188.4
[M+K]+ 371.01321 173.9
[M+H-H2O]+ 315.04731 166.2
[M+HCOO]- 377.04825 184.7
[M+CH3COO]- 391.06390 203.9
[M+Na-2H]- 353.02472 174.6
[M]+ 332.04950 173.3
[M]- 332.05060 173.3
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.