Bis(3-ethyl-5-methyl-4-maleimidophenyl)methane (C27H26N2O4)

Structural Information

Molecular Formula

SMILES

CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N3C(=O)C=CC3=O)CC)C)N4C(=O)C=CC4=O

InChI

InChI=1S/C27H26N2O4/c1-5-20-14-18(11-16(3)26(20)28-22(30)7-8-23(28)31)13-19-12-17(4)27(21(6-2)15-19)29-24(32)9-10-25(29)33/h7-12,14-15H,5-6,13H2,1-4H3

InChIKey

YNSSPVZNXLACMW-UHFFFAOYSA-N

Compound name

1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione

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]+	443.196546	207.5
[M+Na]+	465.178488	217.7
[M-H]-	441.181994	219.6
[M+NH4]+	460.223093	218.2
[M+K]+	481.152428	211.0
[M+H-H2O]+	425.186530	198.2
[M+HCOO]-	487.187471	227.3
[M+CH3COO]-	501.203121	235.9
[M+Na-2H]-	463.163936	199.1
[M]+	442.18872142	212.4
[M]-	442.18981858	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.196546

207.5

[M+Na]+

465.178488

217.7

[M-H]-

441.181994

219.6

[M+NH4]+

460.223093

218.2

[M+K]+

481.152428

211.0

[M+H-H2O]+

425.186530

198.2

[M+HCOO]-

487.187471

227.3

[M+CH3COO]-

501.203121

235.9

[M+Na-2H]-

463.163936

199.1

[M]+

442.18872142

212.4

[M]-

442.18981858

212.4

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

Bis(3-ethyl-5-methyl-4-maleimidophenyl)methane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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