Risperidone (C23H27FN4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3

InChIKey

RAPZEAPATHNIPO-UHFFFAOYSA-N

Compound name

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	411.21908	203.3
[M+Na]+	433.20102	211.2
[M-H]-	409.20452	208.1
[M+NH4]+	428.24562	210.3
[M+K]+	449.17496	204.1
[M+H-H2O]+	393.20906	189.4
[M+HCOO]-	455.21000	212.9
[M+CH3COO]-	469.22565	210.3
[M+Na-2H]-	431.18647	201.8
[M]+	410.21125	200.9
[M]-	410.21235	200.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.21908

203.3

[M+Na]+

433.20102

211.2

[M-H]-

409.20452

208.1

[M+NH4]+

428.24562

210.3

[M+K]+

449.17496

204.1

[M+H-H2O]+

393.20906

189.4

[M+HCOO]-

455.21000

212.9

[M+CH3COO]-

469.22565

210.3

[M+Na-2H]-

431.18647

201.8

[M]+

410.21125

200.9

[M]-

410.21235

200.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Risperidone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe