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	200.5
[M+Na]+	448.14654	209.2
[M-H]-	424.15004	205.4
[M+NH4]+	443.19114	212.6
[M+K]+	464.12048	201.4
[M+H-H2O]+	408.15458	188.8
[M+HCOO]-	470.15552	208.7
[M+CH3COO]-	484.17117	208.3
[M+Na-2H]-	446.13199	200.2
[M]+	425.15677	201.3
[M]-	425.15787	201.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.16460

200.5

[M+Na]+

448.14654

209.2

[M-H]-

424.15004

205.4

[M+NH4]+

443.19114

212.6

[M+K]+

464.12048

201.4

[M+H-H2O]+

408.15458

188.8

[M+HCOO]-

470.15552

208.7

[M+CH3COO]-

484.17117

208.3

[M+Na-2H]-

446.13199

200.2

[M]+

425.15677

201.3

[M]-

425.15787

201.3

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