PubChemLite - 75508-31-5 (C30H24N4O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)NC(=O)C)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C30H24N4O4/c1-17(35)31-19-7-11-21(12-8-19)33-25-15-16-26(34-22-13-9-20(10-14-22)32-18(2)36)28-27(25)29(37)23-5-3-4-6-24(23)30(28)38/h3-16,33-34H,1-2H3,(H,31,35)(H,32,36)

InChIKey

LIMVWSXMKAREHI-UHFFFAOYSA-N

Compound name

N-[4-[[4-(4-acetamidoanilino)-9,10-dioxoanthracen-1-yl]amino]phenyl]acetamide

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]+	505.18703	218.7
[M+Na]+	527.16897	223.0
[M-H]-	503.17247	229.3
[M+NH4]+	522.21357	224.9
[M+K]+	543.14291	217.9
[M+H-H2O]+	487.17701	206.6
[M+HCOO]-	549.17795	239.2
[M+CH3COO]-	563.19360	257.4
[M+Na-2H]-	525.15442	221.7
[M]+	504.17920	217.9
[M]-	504.18030	217.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.18703

218.7

[M+Na]+

527.16897

223.0

[M-H]-

503.17247

229.3

[M+NH4]+

522.21357

224.9

[M+K]+

543.14291

217.9

[M+H-H2O]+

487.17701

206.6

[M+HCOO]-

549.17795

239.2

[M+CH3COO]-

563.19360

257.4

[M+Na-2H]-

525.15442

221.7

[M]+

504.17920

217.9

[M]-

504.18030

217.9

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

75508-31-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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