PubChemLite - Fananserin (C23H24FN3O2S)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CCCN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2

InChIKey

VGIGHGMPMUCLIQ-UHFFFAOYSA-N

Compound name

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide

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]+	426.16460	199.5
[M+Na]+	448.14654	213.4
[M+NH4]+	443.19114	208.3
[M+K]+	464.12048	202.2
[M-H]-	424.15004	203.0
[M+Na-2H]-	446.13199	206.2
[M]+	425.15677	203.1
[M]-	425.15787	203.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.16460

199.5

[M+Na]+

448.14654

213.4

[M+NH4]+

443.19114

208.3

[M+K]+

464.12048

202.2

[M-H]-

424.15004

203.0

[M+Na-2H]-

446.13199

206.2

[M]+

425.15677

203.1

[M]-

425.15787

203.1

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

Fananserin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe