PubChemLite - 105391-33-1 (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]+	443.19655	211.2
[M+Na]+	465.17849	225.7
[M+NH4]+	460.22309	216.2
[M+K]+	481.15243	221.7
[M-H]-	441.18199	216.5
[M+Na-2H]-	463.16394	216.7
[M]+	442.18872	214.7
[M]-	442.18982	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.19655

211.2

[M+Na]+

465.17849

225.7

[M+NH4]+

460.22309

216.2

[M+K]+

481.15243

221.7

[M-H]-

441.18199

216.5

[M+Na-2H]-

463.16394

216.7

[M]+

442.18872

214.7

[M]-

442.18982

214.7

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

105391-33-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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