PubChemLite - Acrimarine h (C30H27NO7)

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(=CC=C5)O)OC)C

InChI

InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3

InChIKey

LUTVFOXEXBZKQE-UHFFFAOYSA-N

Compound name

1,5-dihydroxy-3-methoxy-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]+	514.18608	227.5
[M+Na]+	536.16802	237.5
[M-H]-	512.17152	234.9
[M+NH4]+	531.21262	232.7
[M+K]+	552.14196	234.1
[M+H-H2O]+	496.17606	215.7
[M+HCOO]-	558.17700	239.7
[M+CH3COO]-	572.19265	248.5
[M+Na-2H]-	534.15347	227.4
[M]+	513.17825	236.7
[M]-	513.17935	236.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.18608

227.5

[M+Na]+

536.16802

237.5

[M-H]-

512.17152

234.9

[M+NH4]+

531.21262

232.7

[M+K]+

552.14196

234.1

[M+H-H2O]+

496.17606

215.7

[M+HCOO]-

558.17700

239.7

[M+CH3COO]-

572.19265

248.5

[M+Na-2H]-

534.15347

227.4

[M]+

513.17825

236.7

[M]-

513.17935

236.7

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

Acrimarine h

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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