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	262.3
[M+Na]+	734.21676	267.2
[M+NH4]+	729.26136	265.3
[M+K]+	750.19070	264.7
[M-H]-	710.22026	259.9
[M+Na-2H]-	732.20221	276.3
[M]+	711.22699	263.7
[M]-	711.22809	263.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

712.23482

262.3

[M+Na]+

734.21676

267.2

[M+NH4]+

729.26136

265.3

[M+K]+

750.19070

264.7

[M-H]-

710.22026

259.9

[M+Na-2H]-

732.20221

276.3

[M]+

711.22699

263.7

[M]-

711.22809

263.7

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