PubChemLite - Flosatidil (C26H34F3N3O3S)

Structural Information

Molecular Formula

SMILES

CC(C)COC(=O)N(CCN(C)C)CC(=O)N(CC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC=C2SC

InChI

InChI=1S/C26H34F3N3O3S/c1-19(2)18-35-25(34)31(14-13-30(3)4)17-24(33)32(22-11-6-7-12-23(22)36-5)16-20-9-8-10-21(15-20)26(27,28)29/h6-12,15,19H,13-14,16-18H2,1-5H3

InChIKey

MJOGWNMYQLVUOU-UHFFFAOYSA-N

Compound name

2-methylpropyl N-[2-(dimethylamino)ethyl]-N-[2-[2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]anilino]-2-oxoethyl]carbamate

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]+	526.23458	228.0
[M+Na]+	548.21652	228.7
[M-H]-	524.22002	232.6
[M+NH4]+	543.26112	234.5
[M+K]+	564.19046	227.0
[M+H-H2O]+	508.22456	214.6
[M+HCOO]-	570.22550	240.4
[M+CH3COO]-	584.24115	260.3
[M+Na-2H]-	546.20197	222.1
[M]+	525.22675	232.6
[M]-	525.22785	232.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.23458

228.0

[M+Na]+

548.21652

228.7

[M-H]-

524.22002

232.6

[M+NH4]+

543.26112

234.5

[M+K]+

564.19046

227.0

[M+H-H2O]+

508.22456

214.6

[M+HCOO]-

570.22550

240.4

[M+CH3COO]-

584.24115

260.3

[M+Na-2H]-

546.20197

222.1

[M]+

525.22675

232.6

[M]-

525.22785

232.6

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

Flosatidil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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