PubChemLite - 1h-isoindole-1,3(2h)-dione, 5,5'-((1,1'-biphenyl)-4,4'-diylbis(oxy))bis(2-methyl- (C30H20N2O6)

Structural Information

Molecular Formula

SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)OC5=CC6=C(C=C5)C(=O)N(C6=O)C

InChI

InChI=1S/C30H20N2O6/c1-31-27(33)23-13-11-21(15-25(23)29(31)35)37-19-7-3-17(4-8-19)18-5-9-20(10-6-18)38-22-12-14-24-26(16-22)30(36)32(2)28(24)34/h3-16H,1-2H3

InChIKey

SWUJSSMOGIHXPZ-UHFFFAOYSA-N

Compound name

2-methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]phenoxy]isoindole-1,3-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]+	505.13942	222.2
[M+Na]+	527.12136	232.1
[M-H]-	503.12486	235.9
[M+NH4]+	522.16596	230.9
[M+K]+	543.09530	226.0
[M+H-H2O]+	487.12940	211.2
[M+HCOO]-	549.13034	239.6
[M+CH3COO]-	563.14599	231.1
[M+Na-2H]-	525.10681	217.1
[M]+	504.13159	227.6
[M]-	504.13269	227.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.13942

222.2

[M+Na]+

527.12136

232.1

[M-H]-

503.12486

235.9

[M+NH4]+

522.16596

230.9

[M+K]+

543.09530

226.0

[M+H-H2O]+

487.12940

211.2

[M+HCOO]-

549.13034

239.6

[M+CH3COO]-

563.14599

231.1

[M+Na-2H]-

525.10681

217.1

[M]+

504.13159

227.6

[M]-

504.13269

227.6

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

1h-isoindole-1,3(2h)-dione, 5,5'-((1,1'-biphenyl)-4,4'-diylbis(oxy))bis(2-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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