CID 3045401

Lusaperidone

Structural Information

Molecular Formula
C22H21N3O2
SMILES
CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC4=C(C3)C5=CC=CC=C5O4
InChI
InChI=1S/C22H21N3O2/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3
InChIKey
ZYXHQIPQIKTEDI-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

216
Patents

359.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 187.5
[M+Na]+ 382.15262 198.0
[M-H]- 358.15612 193.8
[M+NH4]+ 377.19722 199.5
[M+K]+ 398.12656 191.5
[M+H-H2O]+ 342.16066 176.2
[M+HCOO]- 404.16160 202.7
[M+CH3COO]- 418.17725 197.5
[M+Na-2H]- 380.13807 191.9
[M]+ 359.16285 190.4
[M]- 359.16395 190.4
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