PubChemLite - Egta-am (C26H40N2O18)

Structural Information

Molecular Formula

SMILES

CC(=O)OCOC(=O)CN(CCOCCOCCN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

InChI

InChI=1S/C26H40N2O18/c1-19(29)39-15-43-23(33)11-27(12-24(34)44-16-40-20(2)30)5-7-37-9-10-38-8-6-28(13-25(35)45-17-41-21(3)31)14-26(36)46-18-42-22(4)32/h5-18H2,1-4H3

InChIKey

GNJXVFXIDHCCKR-UHFFFAOYSA-N

Compound name

acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]amino]acetate

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]+	669.23488	280.8
[M+Na]+	691.21682	291.4
[M-H]-	667.22032	297.8
[M+NH4]+	686.26142	309.3
[M+K]+	707.19076	286.7
[M+H-H2O]+	651.22486	288.5
[M+HCOO]-	713.22580	274.1
[M+CH3COO]-	727.24145	272.3
[M+Na-2H]-	689.20227	270.3
[M]+	668.22705	286.9
[M]-	668.22815	286.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

669.23488

280.8

[M+Na]+

691.21682

291.4

[M-H]-

667.22032

297.8

[M+NH4]+

686.26142

309.3

[M+K]+

707.19076

286.7

[M+H-H2O]+

651.22486

288.5

[M+HCOO]-

713.22580

274.1

[M+CH3COO]-

727.24145

272.3

[M+Na-2H]-

689.20227

270.3

[M]+

668.22705

286.9

[M]-

668.22815

286.9

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

Egta-am

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe