CID 20761834

473871-19-1

Structural Information

Molecular Formula
C16H23N3O4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C3=CC=CC=C3NS2(=O)=O
InChI
InChI=1S/C16H23N3O4S/c1-16(2,3)23-15(20)18-10-8-12(9-11-18)19-14-7-5-4-6-13(14)17-24(19,21)22/h4-7,12,17H,8-11H2,1-3H3
InChIKey
FQYGPBONFZIHPL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2,2-dioxo-1H-2lambda6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.14093 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14821 181.1
[M+Na]+ 376.13015 189.7
[M+NH4]+ 371.17475 187.5
[M+K]+ 392.10409 184.1
[M-H]- 352.13365 180.2
[M+Na-2H]- 374.11560 184.4
[M]+ 353.14038 182.3
[M]- 353.14148 182.3
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

patents stripe