CID 60854

Ziprasidone

Structural Information

Molecular Formula
C21H21ClN4OS
SMILES
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C21H21ClN4OS/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)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
InChIKey
MVWVFYHBGMAFLY-UHFFFAOYSA-N
Compound name
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1927
References

31390
Patents

412.11246 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.11974 197.0
[M+Na]+ 435.10168 207.1
[M-H]- 411.10518 202.4
[M+NH4]+ 430.14628 208.7
[M+K]+ 451.07562 198.3
[M+H-H2O]+ 395.10972 188.0
[M+HCOO]- 457.11066 201.7
[M+CH3COO]- 471.12631 205.3
[M+Na-2H]- 433.08713 193.1
[M]+ 412.11191 198.7
[M]- 412.11301 198.7
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.