PubChemLite - Ly-362884 (C26H29N5O5)

Structural Information

Molecular Formula

SMILES

CC(C)(CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N)NCC(COC3=CC=CC4=C3NC(=O)N4)O

InChI

InChI=1S/C26H29N5O5/c1-26(2,29-14-18(32)15-35-21-5-3-4-20-23(21)31-25(34)30-20)12-16-6-9-19(10-7-16)36-22-11-8-17(13-28-22)24(27)33/h3-11,13,18,29,32H,12,14-15H2,1-2H3,(H2,27,33)(H2,30,31,34)

InChIKey

RLYDBONATWKYQX-UHFFFAOYSA-N

Compound name

6-[4-[2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-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]+	492.22414	213.9
[M+Na]+	514.20608	217.6
[M-H]-	490.20958	217.1
[M+NH4]+	509.25068	216.0
[M+K]+	530.18002	211.9
[M+H-H2O]+	474.21412	203.2
[M+HCOO]-	536.21506	227.7
[M+CH3COO]-	550.23071	238.6
[M+Na-2H]-	512.19153	216.1
[M]+	491.21631	214.6
[M]-	491.21741	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.22414

213.9

[M+Na]+

514.20608

217.6

[M-H]-

490.20958

217.1

[M+NH4]+

509.25068

216.0

[M+K]+

530.18002

211.9

[M+H-H2O]+

474.21412

203.2

[M+HCOO]-

536.21506

227.7

[M+CH3COO]-

550.23071

238.6

[M+Na-2H]-

512.19153

216.1

[M]+

491.21631

214.6

[M]-

491.21741

214.6

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

Ly-362884

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe