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

literature stripe

Patent stripe

patents stripe