CID 10526361

Perospirone impurity 11

Structural Information

Molecular Formula
C23H28N4O2S
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C23H28N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10H,1-2,5-8,11-16H2
InChIKey
WPHIJPAZRBKVBU-UHFFFAOYSA-N
Compound name
2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

424.1933 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.200576 203.1
[M+Na]+ 447.182518 210.0
[M-H]- 423.186024 208.8
[M+NH4]+ 442.227123 213.7
[M+K]+ 463.156458 203.0
[M+H-H2O]+ 407.190560 193.3
[M+HCOO]- 469.191501 210.8
[M+CH3COO]- 483.207151 210.3
[M+Na-2H]- 445.167966 197.4
[M]+ 424.19275142 203.0
[M]- 424.19384858 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.