CID 360722

Nsc623058

Structural Information

Molecular Formula
C12H6N2O4S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)NC(=O)C3=O
InChI
InChI=1S/C12H6N2O4S/c15-8-7(9(16)11(18)14-10(8)17)12-13-5-3-1-2-4-6(5)19-12/h1-4,7H,(H,14,17,18)
InChIKey
XEOMWIVBLKERNQ-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.00482 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01210 156.8
[M+Na]+ 296.99404 168.7
[M-H]- 272.99754 161.9
[M+NH4]+ 292.03864 173.4
[M+K]+ 312.96798 163.2
[M+H-H2O]+ 257.00208 150.4
[M+HCOO]- 319.00302 172.1
[M+CH3COO]- 333.01867 169.3
[M+Na-2H]- 294.97949 157.9
[M]+ 274.00427 158.7
[M]- 274.00537 158.7
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.