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

17
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 199.0
[M+Na]+ 451.09658 213.1
[M+NH4]+ 446.14118 206.6
[M+K]+ 467.07052 206.2
[M-H]- 427.10008 202.9
[M+Na-2H]- 449.08203 203.1
[M]+ 428.10681 202.7
[M]- 428.10791 202.7
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

patents stripe