CID 361015

Nsc623748

Structural Information

Molecular Formula
C18H8Cl2N2O4S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C18H8Cl2N2O4S/c19-8-5-6-9(20)11(7-8)22-17(25)14(23)13(15(24)18(22)26)16-21-10-3-1-2-4-12(10)27-16/h1-7,13H
InChIKey
KHXZVJWAOMUUOB-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1-(2,5-dichlorophenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.9582 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.96548 192.0
[M+Na]+ 440.94742 206.0
[M-H]- 416.95092 201.3
[M+NH4]+ 435.99202 204.9
[M+K]+ 456.92136 198.3
[M+H-H2O]+ 400.95546 185.0
[M+HCOO]- 462.95640 198.2
[M+CH3COO]- 476.97205 203.0
[M+Na-2H]- 438.93287 189.6
[M]+ 417.95765 199.5
[M]- 417.95875 199.5
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.