CID 476288

2-(4-benzyl-1,1,3-trioxo-thieno[3,4-e][1,2,4]thiadiazin-2-yl)acetamide

Structural Information

Molecular Formula
C14H13N3O4S2
SMILES
C1=CC=C(C=C1)CN2C3=CSC=C3S(=O)(=O)N(C2=O)CC(=O)N
InChI
InChI=1S/C14H13N3O4S2/c15-13(18)7-17-14(19)16(6-10-4-2-1-3-5-10)11-8-22-9-12(11)23(17,20)21/h1-5,8-9H,6-7H2,(H2,15,18)
InChIKey
ANCSKODEVGSJNV-UHFFFAOYSA-N
Compound name
2-(4-benzyl-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.03476 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.04204 174.2
[M+Na]+ 374.02398 184.0
[M-H]- 350.02748 178.6
[M+NH4]+ 369.06858 189.5
[M+K]+ 389.99792 178.3
[M+H-H2O]+ 334.03202 168.2
[M+HCOO]- 396.03296 184.1
[M+CH3COO]- 410.04861 208.6
[M+Na-2H]- 372.00943 175.3
[M]+ 351.03421 177.4
[M]- 351.03531 177.4
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.