CID 361025

Nsc623759

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
CC1=CC(=C(C=C1)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C20H14N2O4S/c1-10-7-8-11(2)13(9-10)22-19(25)16(23)15(17(24)20(22)26)18-21-12-5-3-4-6-14(12)27-18/h3-9,15H,1-2H3
InChIKey
MWSIVQBLCOWEOC-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07468 188.1
[M+Na]+ 401.05662 200.5
[M-H]- 377.06012 197.9
[M+NH4]+ 396.10122 201.2
[M+K]+ 417.03056 193.9
[M+H-H2O]+ 361.06466 179.8
[M+HCOO]- 423.06560 203.3
[M+CH3COO]- 437.08125 199.5
[M+Na-2H]- 399.04207 185.8
[M]+ 378.06685 192.9
[M]- 378.06795 192.9
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.