CID 6481072

1'-benzyl-4-butyl-spiro[1,4-benzothiazine-2,4'-piperidine]-3,3'-dione

Structural Information

Molecular Formula
C23H26N2O2S
SMILES
CCCCN1C2=CC=CC=C2SC3(C1=O)CCN(CC3=O)CC4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2S/c1-2-3-14-25-19-11-7-8-12-20(19)28-23(22(25)27)13-15-24(17-21(23)26)16-18-9-5-4-6-10-18/h4-12H,2-3,13-17H2,1H3
InChIKey
YNKXZQJQTYLGCU-UHFFFAOYSA-N
Compound name
1'-benzyl-4-butylspiro[1,4-benzothiazine-2,4'-piperidine]-3,3'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.1715 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17878 194.9
[M+Na]+ 417.16072 200.9
[M-H]- 393.16422 200.1
[M+NH4]+ 412.20532 206.8
[M+K]+ 433.13466 193.9
[M+H-H2O]+ 377.16876 184.1
[M+HCOO]- 439.16970 203.3
[M+CH3COO]- 453.18535 202.5
[M+Na-2H]- 415.14617 195.5
[M]+ 394.17095 193.3
[M]- 394.17205 193.3
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

No patent data available for this compound.