CID 391422

Nsc690594

Structural Information

Molecular Formula
C15H12N2O4S2
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C15H12N2O4S2/c1-10(18)16-23(20,21)12-8-6-11(7-9-12)17-15(19)13-4-2-3-5-14(13)22-17/h2-9H,1H3,(H,16,18)
InChIKey
USSVWFLOGQKKTP-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

348.02383 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03111 177.8
[M+Na]+ 371.01305 189.0
[M-H]- 347.01655 185.2
[M+NH4]+ 366.05765 193.1
[M+K]+ 386.98699 183.0
[M+H-H2O]+ 331.02109 171.6
[M+HCOO]- 393.02203 192.0
[M+CH3COO]- 407.03768 207.3
[M+Na-2H]- 368.99850 181.5
[M]+ 348.02328 184.3
[M]- 348.02438 184.3
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.