PubChemLite - 63404-69-3 (C26H20N4O8)

Structural Information

Molecular Formula

SMILES

CC(=O)N=C1C=CC(=C2C1=C(C3=C(N2)C(=O)C4=C(C3=O)NC5=C(C=CC(=NC(=O)C)C5=C4O)OC)O)OC

InChI

InChI=1S/C26H20N4O8/c1-9(31)27-11-5-7-13(37-3)19-15(11)23(33)17-21(29-19)26(36)18-22(25(17)35)30-20-14(38-4)8-6-12(28-10(2)32)16(20)24(18)34/h5-8,29-30,33-34H,1-4H3

InChIKey

GOEZLFSUXDZXGW-UHFFFAOYSA-N

Compound name

N-(1-acetylimino-7,14-dihydroxy-4,11-dimethoxy-6,13-dioxo-5,12-dihydroquinolino[2,3-b]acridin-8-ylidene)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]+	517.13538	220.5
[M+Na]+	539.11732	231.8
[M-H]-	515.12082	224.7
[M+NH4]+	534.16192	226.1
[M+K]+	555.09126	228.0
[M+H-H2O]+	499.12536	209.5
[M+HCOO]-	561.12630	235.7
[M+CH3COO]-	575.14195	252.7
[M+Na-2H]-	537.10277	225.3
[M]+	516.12755	229.3
[M]-	516.12865	229.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.13538

220.5

[M+Na]+

539.11732

231.8

[M-H]-

515.12082

224.7

[M+NH4]+

534.16192

226.1

[M+K]+

555.09126

228.0

[M+H-H2O]+

499.12536

209.5

[M+HCOO]-

561.12630

235.7

[M+CH3COO]-

575.14195

252.7

[M+Na-2H]-

537.10277

225.3

[M]+

516.12755

229.3

[M]-

516.12865

229.3

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

63404-69-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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