PubChemLite - Acrimarine i (C34H31NO7)

Structural Information

Molecular Formula

SMILES

CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=CC=C6)O)C=CC(O4)(C)C)C

InChI

InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3

InChIKey

GSUYTELQWICLMF-UHFFFAOYSA-N

Compound name

6,11-dihydroxy-5-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-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]+	566.21728	243.9
[M+Na]+	588.19922	254.1
[M-H]-	564.20272	252.3
[M+NH4]+	583.24382	248.3
[M+K]+	604.17316	251.7
[M+H-H2O]+	548.20726	230.2
[M+HCOO]-	610.20820	251.3
[M+CH3COO]-	624.22385	250.1
[M+Na-2H]-	586.18467	244.0
[M]+	565.20945	252.6
[M]-	565.21055	252.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

566.21728

243.9

[M+Na]+

588.19922

254.1

[M-H]-

564.20272

252.3

[M+NH4]+

583.24382

248.3

[M+K]+

604.17316

251.7

[M+H-H2O]+

548.20726

230.2

[M+HCOO]-

610.20820

251.3

[M+CH3COO]-

624.22385

250.1

[M+Na-2H]-

586.18467

244.0

[M]+

565.20945

252.6

[M]-

565.21055

252.6

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

Acrimarine i

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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