PubChemLite - 105344-37-4 (C34H37N3O14)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)N(CC(=O)OC)CC(=O)OC)OCCOC2=C(C=C3C(=C2)C=C(O3)C4=NC=C(O4)C(=O)OC)N(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C34H37N3O14/c1-20-7-8-22(36(16-29(38)43-2)17-30(39)44-3)25(11-20)48-9-10-49-26-12-21-13-27(33-35-15-28(51-33)34(42)47-6)50-24(21)14-23(26)37(18-31(40)45-4)19-32(41)46-5/h7-8,11-15H,9-10,16-19H2,1-6H3

InChIKey

DZNKOAWEHDKBEP-UHFFFAOYSA-N

Compound name

methyl 2-[6-[bis(2-methoxy-2-oxoethyl)amino]-5-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate

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]+	712.23482	256.1
[M+Na]+	734.21676	260.0
[M-H]-	710.22026	260.4
[M+NH4]+	729.26136	259.8
[M+K]+	750.19070	255.1
[M+H-H2O]+	694.22480	249.7
[M+HCOO]-	756.22574	261.0
[M+CH3COO]-	770.24139	287.1
[M+Na-2H]-	732.20221	273.3
[M]+	711.22699	283.2
[M]-	711.22809	283.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

712.23482

256.1

[M+Na]+

734.21676

260.0

[M-H]-

710.22026

260.4

[M+NH4]+

729.26136

259.8

[M+K]+

750.19070

255.1

[M+H-H2O]+

694.22480

249.7

[M+HCOO]-

756.22574

261.0

[M+CH3COO]-

770.24139

287.1

[M+Na-2H]-

732.20221

273.3

[M]+

711.22699

283.2

[M]-

711.22809

283.2

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

105344-37-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe