PubChemLite - E-7090 (C32H37N5O6)

Structural Information

Molecular Formula

SMILES

CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO

InChI

InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)

InChIKey

IBHOLSBDZMIPPT-UHFFFAOYSA-N

Compound name

5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-N-methylindole-1-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]+	588.28168	237.3
[M+Na]+	610.26362	238.4
[M-H]-	586.26712	245.0
[M+NH4]+	605.30822	236.4
[M+K]+	626.23756	233.9
[M+H-H2O]+	570.27166	223.5
[M+HCOO]-	632.27260	251.0
[M+CH3COO]-	646.28825	259.8
[M+Na-2H]-	608.24907	235.3
[M]+	587.27385	239.7
[M]-	587.27495	239.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

588.28168

237.3

[M+Na]+

610.26362

238.4

[M-H]-

586.26712

245.0

[M+NH4]+

605.30822

236.4

[M+K]+

626.23756

233.9

[M+H-H2O]+

570.27166

223.5

[M+HCOO]-

632.27260

251.0

[M+CH3COO]-

646.28825

259.8

[M+Na-2H]-

608.24907

235.3

[M]+

587.27385

239.7

[M]-

587.27495

239.7

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

E-7090

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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