CID 366751

Nsc635524

Structural Information

Molecular Formula
C20H14N2O5S
SMILES
CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C20H14N2O5S/c1-2-27-13-9-5-4-8-12(13)22-19(25)16(23)15(17(24)20(22)26)18-21-11-7-3-6-10-14(11)28-18/h3-10,15H,2H2,1H3
InChIKey
ZDAVAGZRRLLSDO-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.06235 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06963 190.9
[M+Na]+ 417.05157 202.1
[M-H]- 393.05507 200.2
[M+NH4]+ 412.09617 202.9
[M+K]+ 433.02551 196.2
[M+H-H2O]+ 377.05961 182.1
[M+HCOO]- 439.06055 206.3
[M+CH3COO]- 453.07620 201.7
[M+Na-2H]- 415.03702 189.5
[M]+ 394.06180 196.6
[M]- 394.06290 196.6
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.