PubChemLite - Lensiprazine (C24H27FN4O2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C(=O)NC2=C(O1)C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=C4C=C(C=C5)F

InChI

InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1

InChIKey

SDAMYSWGWHXMRT-MRXNPFEDSA-N

Compound name

(2R)-8-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-2-methyl-4H-1,4-benzoxazin-3-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]+	423.21908	208.1
[M+Na]+	445.20102	221.6
[M+NH4]+	440.24562	213.6
[M+K]+	461.17496	215.3
[M-H]-	421.20452	211.8
[M+Na-2H]-	443.18647	211.0
[M]+	422.21125	210.9
[M]-	422.21235	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.21908

208.1

[M+Na]+

445.20102

221.6

[M+NH4]+

440.24562

213.6

[M+K]+

461.17496

215.3

[M-H]-

421.20452

211.8

[M+Na-2H]-

443.18647

211.0

[M]+

422.21125

210.9

[M]-

422.21235

210.9

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

Lensiprazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe