PubChemLite - Ethanediamide, n,n'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]- (C44H26N4O8)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C(=O)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC(=O)C8=CC=CC=C8

InChI

InChI=1S/C44H26N4O8/c49-37-27-17-9-21-31(35(27)39(51)25-15-7-19-29(33(25)37)45-41(53)23-11-3-1-4-12-23)47-43(55)44(56)48-32-22-10-18-28-36(32)40(52)26-16-8-20-30(34(26)38(28)50)46-42(54)24-13-5-2-6-14-24/h1-22H,(H,45,53)(H,46,54)(H,47,55)(H,48,56)

InChIKey

NIBQRIIYVCTBDX-UHFFFAOYSA-N

Compound name

N,N'-bis(5-benzamido-9,10-dioxoanthracen-1-yl)oxamide

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]+	739.18233	257.1
[M+Na]+	761.16427	256.5
[M-H]-	737.16777	269.3
[M+NH4]+	756.20887	252.9
[M+K]+	777.13821	255.5
[M+H-H2O]+	721.17231	240.9
[M+HCOO]-	783.17325	268.5
[M+CH3COO]-	797.18890	258.3
[M+Na-2H]-	759.14972	287.6
[M]+	738.17450	255.5
[M]-	738.17560	255.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

739.18233

257.1

[M+Na]+

761.16427

256.5

[M-H]-

737.16777

269.3

[M+NH4]+

756.20887

252.9

[M+K]+

777.13821

255.5

[M+H-H2O]+

721.17231

240.9

[M+HCOO]-

783.17325

268.5

[M+CH3COO]-

797.18890

258.3

[M+Na-2H]-

759.14972

287.6

[M]+

738.17450

255.5

[M]-

738.17560

255.5

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

Ethanediamide, n,n'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe