PubChemLite - Fluphenazine enanthate (C29H38F3N3O2S)

Structural Information

Molecular Formula

SMILES

CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3

InChIKey

LRWSFOSWNAQHHW-UHFFFAOYSA-N

Compound name

2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate

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]+	550.27098	235.2
[M+Na]+	572.25292	237.4
[M-H]-	548.25642	232.1
[M+NH4]+	567.29752	237.8
[M+K]+	588.22686	228.8
[M+H-H2O]+	532.26096	220.5
[M+HCOO]-	594.26190	233.8
[M+CH3COO]-	608.27755	249.6
[M+Na-2H]-	570.23837	231.2
[M]+	549.26315	233.9
[M]-	549.26425	233.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

550.27098

235.2

[M+Na]+

572.25292

237.4

[M-H]-

548.25642

232.1

[M+NH4]+

567.29752

237.8

[M+K]+

588.22686

228.8

[M+H-H2O]+

532.26096

220.5

[M+HCOO]-

594.26190

233.8

[M+CH3COO]-

608.27755

249.6

[M+Na-2H]-

570.23837

231.2

[M]+

549.26315

233.9

[M]-

549.26425

233.9

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

Fluphenazine enanthate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe