Dtxsid601107043 (C30H32O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)CC=C(C)C)O)C

InChI

InChI=1S/C30H32O6/c1-16(2)7-9-20-25(32)21(10-8-17(3)4)29-24(26(20)33)27(34)22(15-35-29)18-11-12-23(31)19-13-14-30(5,6)36-28(18)19/h7-8,11-15,31-33H,9-10H2,1-6H3

InChIKey

CLXMHBYPZWNJQI-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-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]+	489.22716	223.5
[M+Na]+	511.20910	231.9
[M-H]-	487.21260	229.8
[M+NH4]+	506.25370	230.9
[M+K]+	527.18304	228.4
[M+H-H2O]+	471.21714	214.5
[M+HCOO]-	533.21808	232.8
[M+CH3COO]-	547.23373	242.1
[M+Na-2H]-	509.19455	221.1
[M]+	488.21933	228.9
[M]-	488.22043	228.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.22716

223.5

[M+Na]+

511.20910

231.9

[M-H]-

487.21260

229.8

[M+NH4]+

506.25370

230.9

[M+K]+

527.18304

228.4

[M+H-H2O]+

471.21714

214.5

[M+HCOO]-

533.21808

232.8

[M+CH3COO]-

547.23373

242.1

[M+Na-2H]-

509.19455

221.1

[M]+

488.21933

228.9

[M]-

488.22043

228.9

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

Dtxsid601107043

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe