CID 15959407

Ziprasidone sulfoxide

Structural Information

Molecular Formula
C21H21ClN4O2S
SMILES
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NS(=O)C5=CC=CC=C54
InChI
InChI=1S/C21H21ClN4O2S/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)29(28)24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
InChIKey
XYYQWGUKBVTGJQ-UHFFFAOYSA-N
Compound name
6-chloro-5-[2-[4-(1-oxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

428.10736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.11464 202.0
[M+Na]+ 451.09658 211.9
[M-H]- 427.10008 207.4
[M+NH4]+ 446.14118 213.1
[M+K]+ 467.07052 203.4
[M+H-H2O]+ 411.10462 193.4
[M+HCOO]- 473.10556 205.6
[M+CH3COO]- 487.12121 209.8
[M+Na-2H]- 449.08203 196.7
[M]+ 428.10681 203.3
[M]- 428.10791 203.3
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.