Bapta tetramethyl ester (C26H32N2O10)

Structural Information

Molecular Formula

SMILES

COC(=O)CN(CC(=O)OC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C26H32N2O10/c1-33-23(29)15-27(16-24(30)34-2)19-9-5-7-11-21(19)37-13-14-38-22-12-8-6-10-20(22)28(17-25(31)35-3)18-26(32)36-4/h5-12H,13-18H2,1-4H3

InChIKey

LCPLRKMZANZSAJ-UHFFFAOYSA-N

Compound name

methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)anilino]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]+	533.21298	223.0
[M+Na]+	555.19492	222.8
[M-H]-	531.19842	230.5
[M+NH4]+	550.23952	227.5
[M+K]+	571.16886	226.7
[M+H-H2O]+	515.20296	211.3
[M+HCOO]-	577.20390	244.7
[M+CH3COO]-	591.21955	254.9
[M+Na-2H]-	553.18037	219.8
[M]+	532.20515	236.3
[M]-	532.20625	236.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.21298

223.0

[M+Na]+

555.19492

222.8

[M-H]-

531.19842

230.5

[M+NH4]+

550.23952

227.5

[M+K]+

571.16886

226.7

[M+H-H2O]+

515.20296

211.3

[M+HCOO]-

577.20390

244.7

[M+CH3COO]-

591.21955

254.9

[M+Na-2H]-

553.18037

219.8

[M]+

532.20515

236.3

[M]-

532.20625

236.3

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

Bapta tetramethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe