PubChemLite - Risperidon (C23H29FN4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4C5=C(C=C(C=C5)F)ON4

InChI

InChI=1S/C23H29FN4O2/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/h5-6,14,16,22,26H,2-4,7-13H2,1H3

InChIKey

WDNMHZRFIIOXOD-UHFFFAOYSA-N

Compound name

3-[2-[4-(6-fluoro-2,3-dihydro-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]+	413.23473	204.7
[M+Na]+	435.21667	210.2
[M-H]-	411.22017	207.4
[M+NH4]+	430.26127	210.8
[M+K]+	451.19061	202.8
[M+H-H2O]+	395.22471	191.2
[M+HCOO]-	457.22565	210.0
[M+CH3COO]-	471.24130	210.1
[M+Na-2H]-	433.20212	201.0
[M]+	412.22690	197.9
[M]-	412.22800	197.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.23473

204.7

[M+Na]+

435.21667

210.2

[M-H]-

411.22017

207.4

[M+NH4]+

430.26127

210.8

[M+K]+

451.19061

202.8

[M+H-H2O]+

395.22471

191.2

[M+HCOO]-

457.22565

210.0

[M+CH3COO]-

471.24130

210.1

[M+Na-2H]-

433.20212

201.0

[M]+

412.22690

197.9

[M]-

412.22800

197.9

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

Risperidon

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe