PubChemLite - 6-methylrisperidone (C24H29FN4O2)

Structural Information

Molecular Formula

SMILES

CC1CCCC2=NC(=C(C(=O)N12)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

InChI

InChI=1S/C24H29FN4O2/c1-15-4-3-5-22-26-16(2)19(24(30)29(15)22)10-13-28-11-8-17(9-12-28)23-20-7-6-18(25)14-21(20)31-27-23/h6-7,14-15,17H,3-5,8-13H2,1-2H3

InChIKey

OGYZXUJCZWNPPY-UHFFFAOYSA-N

Compound name

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,6-dimethyl-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]+	425.23473	209.1
[M+Na]+	447.21667	217.5
[M-H]-	423.22017	214.2
[M+NH4]+	442.26127	215.9
[M+K]+	463.19061	210.2
[M+H-H2O]+	407.22471	195.3
[M+HCOO]-	469.22565	218.3
[M+CH3COO]-	483.24130	216.0
[M+Na-2H]-	445.20212	206.3
[M]+	424.22690	207.5
[M]-	424.22800	207.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.23473

209.1

[M+Na]+

447.21667

217.5

[M-H]-

423.22017

214.2

[M+NH4]+

442.26127

215.9

[M+K]+

463.19061

210.2

[M+H-H2O]+

407.22471

195.3

[M+HCOO]-

469.22565

218.3

[M+CH3COO]-

483.24130

216.0

[M+Na-2H]-

445.20212

206.3

[M]+

424.22690

207.5

[M]-

424.22800

207.5

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

6-methylrisperidone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe