PubChemLite - Furo[3,4-b]pyridin-5(7h)-one, 7-[4-(diethylamino)-2-(hexyloxy)phenyl]-7-(1-ethyl-2-methyl-1h-indol-3-yl)- (C34H41N3O3)

Structural Information

Molecular Formula

SMILES

CCCCCCOC1=C(C=CC(=C1)N(CC)CC)C2(C3=C(C=CC=N3)C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C

InChI

InChI=1S/C34H41N3O3/c1-6-10-11-14-22-39-30-23-25(36(7-2)8-3)19-20-28(30)34(32-27(33(38)40-34)17-15-21-35-32)31-24(5)37(9-4)29-18-13-12-16-26(29)31/h12-13,15-21,23H,6-11,14,22H2,1-5H3

InChIKey

YDYKGVWORCQOTN-UHFFFAOYSA-N

Compound name

7-[4-(diethylamino)-2-hexoxyphenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one

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]+	540.32208	240.4
[M+Na]+	562.30402	247.7
[M-H]-	538.30752	251.5
[M+NH4]+	557.34862	249.6
[M+K]+	578.27796	242.0
[M+H-H2O]+	522.31206	228.9
[M+HCOO]-	584.31300	258.2
[M+CH3COO]-	598.32865	247.9
[M+Na-2H]-	560.28947	236.2
[M]+	539.31425	250.7
[M]-	539.31535	250.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.32208

240.4

[M+Na]+

562.30402

247.7

[M-H]-

538.30752

251.5

[M+NH4]+

557.34862

249.6

[M+K]+

578.27796

242.0

[M+H-H2O]+

522.31206

228.9

[M+HCOO]-

584.31300

258.2

[M+CH3COO]-

598.32865

247.9

[M+Na-2H]-

560.28947

236.2

[M]+

539.31425

250.7

[M]-

539.31535

250.7

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

Furo[3,4-b]pyridin-5(7h)-one, 7-[4-(diethylamino)-2-(hexyloxy)phenyl]-7-(1-ethyl-2-methyl-1h-indol-3-yl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe