PubChemLite - Benzamide, 4,4'-(2,5-furandiyl)bis[n-[2-(dimethylamino)ethyl]-n-methyl- (C28H36N4O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)N(C)CCN(C)C

InChI

InChI=1S/C28H36N4O3/c1-29(2)17-19-31(5)27(33)23-11-7-21(8-12-23)25-15-16-26(35-25)22-9-13-24(14-10-22)28(34)32(6)20-18-30(3)4/h7-16H,17-20H2,1-6H3

InChIKey

CQWUXEVTKDAXSJ-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-4-[5-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]furan-2-yl]-N-methylbenzamide

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]+	477.28603	226.8
[M+Na]+	499.26797	227.7
[M-H]-	475.27147	241.6
[M+NH4]+	494.31257	235.5
[M+K]+	515.24191	229.1
[M+H-H2O]+	459.27601	215.2
[M+HCOO]-	521.27695	252.2
[M+CH3COO]-	535.29260	260.9
[M+Na-2H]-	497.25342	222.5
[M]+	476.27820	234.1
[M]-	476.27930	234.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.28603

226.8

[M+Na]+

499.26797

227.7

[M-H]-

475.27147

241.6

[M+NH4]+

494.31257

235.5

[M+K]+

515.24191

229.1

[M+H-H2O]+

459.27601

215.2

[M+HCOO]-

521.27695

252.2

[M+CH3COO]-

535.29260

260.9

[M+Na-2H]-

497.25342

222.5

[M]+

476.27820

234.1

[M]-

476.27930

234.1

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

Benzamide, 4,4'-(2,5-furandiyl)bis[n-[2-(dimethylamino)ethyl]-n-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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