PubChemLite - 2,5-pyrrolidinedione, 1,1'-(methylenedi-4,1-phenylene)bis(3-((3-hydroxyphenyl)amino)- (C33H28N4O6)

Structural Information

Molecular Formula

SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)CC3=CC=C(C=C3)N4C(=O)CC(C4=O)NC5=CC(=CC=C5)O)NC6=CC(=CC=C6)O

InChI

InChI=1S/C33H28N4O6/c38-26-5-1-3-22(16-26)34-28-18-30(40)36(32(28)42)24-11-7-20(8-12-24)15-21-9-13-25(14-10-21)37-31(41)19-29(33(37)43)35-23-4-2-6-27(39)17-23/h1-14,16-17,28-29,34-35,38-39H,15,18-19H2

InChIKey

BCDLSARRVYUCQV-UHFFFAOYSA-N

Compound name

3-(3-hydroxyanilino)-1-[4-[[4-[3-(3-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]pyrrolidine-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]+	577.20815	232.9
[M+Na]+	599.19009	236.5
[M-H]-	575.19359	247.6
[M+NH4]+	594.23469	233.9
[M+K]+	615.16403	230.0
[M+H-H2O]+	559.19813	220.8
[M+HCOO]-	621.19907	248.9
[M+CH3COO]-	635.21472	238.2
[M+Na-2H]-	597.17554	225.9
[M]+	576.20032	229.8
[M]-	576.20142	229.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.20815

232.9

[M+Na]+

599.19009

236.5

[M-H]-

575.19359

247.6

[M+NH4]+

594.23469

233.9

[M+K]+

615.16403

230.0

[M+H-H2O]+

559.19813

220.8

[M+HCOO]-

621.19907

248.9

[M+CH3COO]-

635.21472

238.2

[M+Na-2H]-

597.17554

225.9

[M]+

576.20032

229.8

[M]-

576.20142

229.8

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

2,5-pyrrolidinedione, 1,1'-(methylenedi-4,1-phenylene)bis(3-((3-hydroxyphenyl)amino)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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