PubChemLite - Mrtf/srf-in-1 (C24H19ClF3N3O2)

Structural Information

Molecular Formula

SMILES

C1C(CN(CC1(F)F)C(=O)C2=CC(=CC(=C2)C3=CC=NC=C3)F)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClF3N3O2/c25-19-1-3-21(4-2-19)30-22(32)18-12-24(27,28)14-31(13-18)23(33)17-9-16(10-20(26)11-17)15-5-7-29-8-6-15/h1-11,18H,12-14H2,(H,30,32)

InChIKey

BEDJWRJGMARXLZ-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide

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]+	474.11908	206.4
[M+Na]+	496.10102	218.2
[M+NH4]+	491.14562	211.8
[M+K]+	512.07496	209.0
[M-H]-	472.10452	208.8
[M+Na-2H]-	494.08647	214.7
[M]+	473.11125	208.9
[M]-	473.11235	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.11908

206.4

[M+Na]+

496.10102

218.2

[M+NH4]+

491.14562

211.8

[M+K]+

512.07496

209.0

[M-H]-

472.10452

208.8

[M+Na-2H]-

494.08647

214.7

[M]+

473.11125

208.9

[M]-

473.11235

208.9

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

Mrtf/srf-in-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe