CID 39528

Supidimide

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
C1CC(C(=O)NC1)N2C(=O)C3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C12H12N2O4S/c15-11-9(5-3-7-13-11)14-12(16)8-4-1-2-6-10(8)19(14,17)18/h1-2,4,6,9H,3,5,7H2,(H,13,15)
InChIKey
QQWLXNMPPFCVCD-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-(2-oxopiperidin-3-yl)-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

160
Patents

280.0518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 159.0
[M+Na]+ 303.04102 168.8
[M-H]- 279.04452 162.9
[M+NH4]+ 298.08562 176.9
[M+K]+ 319.01496 164.1
[M+H-H2O]+ 263.04906 152.9
[M+HCOO]- 325.05000 171.3
[M+CH3COO]- 339.06565 170.4
[M+Na-2H]- 301.02647 160.4
[M]+ 280.05125 158.1
[M]- 280.05235 158.1
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