PubChemLite - Ly2562175 (C28H27Cl2N3O4)

Structural Information

Molecular Formula

SMILES

CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O

InChI

InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)

InChIKey

RPVDFHPBGBMWID-UHFFFAOYSA-N

Compound name

6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid

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]+	540.14518	224.9
[M+Na]+	562.12712	242.8
[M+NH4]+	557.17172	232.1
[M+K]+	578.10106	238.5
[M-H]-	538.13062	239.4
[M+Na-2H]-	560.11257	233.5
[M]+	539.13735	233.4
[M]-	539.13845	233.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.14518

224.9

[M+Na]+

562.12712

242.8

[M+NH4]+

557.17172

232.1

[M+K]+

578.10106

238.5

[M-H]-

538.13062

239.4

[M+Na-2H]-

560.11257

233.5

[M]+

539.13735

233.4

[M]-

539.13845

233.4

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

Ly2562175

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe