PubChemLite - Methyl 2,5-bis[[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]pentanoate (C30H38N2O10)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H38N2O10/c1-36-22-15-19(16-23(37-2)28(22)40-5)10-12-26(33)31-14-8-9-21(30(35)42-7)32-27(34)13-11-20-17-24(38-3)29(41-6)25(18-20)39-4/h10-13,15-18,21H,8-9,14H2,1-7H3,(H,31,33)(H,32,34)/b12-10+,13-11+

InChIKey

JCCLXGSHYGOPBY-DCIPZJNNSA-N

Compound name

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

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]+	587.25988	238.9
[M+Na]+	609.24182	240.2
[M-H]-	585.24532	244.3
[M+NH4]+	604.28642	240.8
[M+K]+	625.21576	240.7
[M+H-H2O]+	569.24986	227.5
[M+HCOO]-	631.25080	244.4
[M+CH3COO]-	645.26645	264.8
[M+Na-2H]-	607.22727	232.5
[M]+	586.25205	251.9
[M]-	586.25315	251.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.25988

238.9

[M+Na]+

609.24182

240.2

[M-H]-

585.24532

244.3

[M+NH4]+

604.28642

240.8

[M+K]+

625.21576

240.7

[M+H-H2O]+

569.24986

227.5

[M+HCOO]-

631.25080

244.4

[M+CH3COO]-

645.26645

264.8

[M+Na-2H]-

607.22727

232.5

[M]+

586.25205

251.9

[M]-

586.25315

251.9

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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