CID 736227

325766-98-1

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
C1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C16H14N2O4S/c19-15(17-10-12-6-2-1-3-7-12)11-18-16(20)13-8-4-5-9-14(13)23(18,21)22/h1-9H,10-11H2,(H,17,19)
InChIKey
JOMGEJMZXGVLDW-UHFFFAOYSA-N
Compound name
N-benzyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

330.0674 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.074676 172.4
[M+Na]+ 353.056618 181.8
[M-H]- 329.060124 179.3
[M+NH4]+ 348.101223 189.9
[M+K]+ 369.030558 177.0
[M+H-H2O]+ 313.064660 165.5
[M+HCOO]- 375.065601 190.5
[M+CH3COO]- 389.081251 205.7
[M+Na-2H]- 351.042066 175.6
[M]+ 330.06685142 176.5
[M]- 330.06794858 176.5
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.