PubChemLite - Acrimarine n (C32H31NO8)

Structural Information

Molecular Formula

SMILES

CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)OC)OC)OC)C

InChI

InChI=1S/C32H31NO8/c1-16(2)12-20(19-13-17-8-11-26(34)41-23(17)15-24(19)38-5)27-25(39-6)14-21-28(31(27)36)30(35)18-9-10-22(37-4)32(40-7)29(18)33(21)3/h8-15,20,36H,1-7H3

InChIKey

DRQKNTLMXYUGTO-UHFFFAOYSA-N

Compound name

1-hydroxy-3,5,6-trimethoxy-2-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one

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]+	558.21224	239.5
[M+Na]+	580.19418	249.3
[M-H]-	556.19768	248.0
[M+NH4]+	575.23878	243.6
[M+K]+	596.16812	247.5
[M+H-H2O]+	540.20222	226.7
[M+HCOO]-	602.20316	252.3
[M+CH3COO]-	616.21881	259.5
[M+Na-2H]-	578.17963	238.3
[M]+	557.20441	252.5
[M]-	557.20551	252.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

558.21224

239.5

[M+Na]+

580.19418

249.3

[M-H]-

556.19768

248.0

[M+NH4]+

575.23878

243.6

[M+K]+

596.16812

247.5

[M+H-H2O]+

540.20222

226.7

[M+HCOO]-

602.20316

252.3

[M+CH3COO]-

616.21881

259.5

[M+Na-2H]-

578.17963

238.3

[M]+

557.20441

252.5

[M]-

557.20551

252.5

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

Acrimarine n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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