CID 366747

Nsc635520

Structural Information

Molecular Formula
C15H7N3O4S2
SMILES
C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=NC=CS4
InChI
InChI=1S/C15H7N3O4S2/c19-10-9(12-17-7-3-1-2-4-8(7)24-12)11(20)14(22)18(13(10)21)15-16-5-6-23-15/h1-6,9H
InChIKey
WSYITPUNIHLFQR-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1-(1,3-thiazol-2-yl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.9878 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.99508 179.7
[M+Na]+ 379.97702 193.3
[M-H]- 355.98052 188.6
[M+NH4]+ 375.02162 194.6
[M+K]+ 395.95096 187.2
[M+H-H2O]+ 339.98506 174.1
[M+HCOO]- 401.98600 191.7
[M+CH3COO]- 416.00165 191.5
[M+Na-2H]- 377.96247 176.9
[M]+ 356.98725 185.2
[M]- 356.98835 185.2
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.