PubChemLite - Methyl 2,4-bis[[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]butanoate (C29H36N2O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCCC(C(=O)OC)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C29H36N2O10/c1-35-21-14-18(15-22(36-2)27(21)39-5)8-10-25(32)30-13-12-20(29(34)41-7)31-26(33)11-9-19-16-23(37-3)28(40-6)24(17-19)38-4/h8-11,14-17,20H,12-13H2,1-7H3,(H,30,32)(H,31,33)/b10-8+,11-9+

InChIKey

GAMVFXNHKZECNG-GFULKKFKSA-N

Compound name

methyl 2,4-bis[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]butanoate

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]+	573.24428	234.5
[M+Na]+	595.22622	236.3
[M-H]-	571.22972	240.2
[M+NH4]+	590.27082	237.4
[M+K]+	611.20016	237.0
[M+H-H2O]+	555.23426	223.4
[M+HCOO]-	617.23520	241.3
[M+CH3COO]-	631.25085	262.0
[M+Na-2H]-	593.21167	228.6
[M]+	572.23645	247.3
[M]-	572.23755	247.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.24428

234.5

[M+Na]+

595.22622

236.3

[M-H]-

571.22972

240.2

[M+NH4]+

590.27082

237.4

[M+K]+

611.20016

237.0

[M+H-H2O]+

555.23426

223.4

[M+HCOO]-

617.23520

241.3

[M+CH3COO]-

631.25085

262.0

[M+Na-2H]-

593.21167

228.6

[M]+

572.23645

247.3

[M]-

572.23755

247.3

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

Methyl 2,4-bis[[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]butanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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