PubChemLite - Einecs 223-710-4 (C36H20N2O6)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=CC=C4C(=O)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C36H20N2O6/c39-31-19-9-1-3-11-21(19)33(41)29-25(31)15-7-17-27(29)37-35(43)23-13-5-6-14-24(23)36(44)38-28-18-8-16-26-30(28)34(42)22-12-4-2-10-20(22)32(26)40/h1-18H,(H,37,43)(H,38,44)

InChIKey

WMFOCQJARALVQT-UHFFFAOYSA-N

Compound name

1-N,2-N-bis(9,10-dioxoanthracen-1-yl)benzene-1,2-dicarboxamide

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]+	577.13942	232.9
[M+Na]+	599.12136	237.8
[M-H]-	575.12486	244.2
[M+NH4]+	594.16596	237.2
[M+K]+	615.09530	232.5
[M+H-H2O]+	559.12940	218.2
[M+HCOO]-	621.13034	246.3
[M+CH3COO]-	635.14599	238.0
[M+Na-2H]-	597.10681	235.0
[M]+	576.13159	232.2
[M]-	576.13269	232.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.13942

232.9

[M+Na]+

599.12136

237.8

[M-H]-

575.12486

244.2

[M+NH4]+

594.16596

237.2

[M+K]+

615.09530

232.5

[M+H-H2O]+

559.12940

218.2

[M+HCOO]-

621.13034

246.3

[M+CH3COO]-

635.14599

238.0

[M+Na-2H]-

597.10681

235.0

[M]+

576.13159

232.2

[M]-

576.13269

232.2

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

Einecs 223-710-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe