Dorsilurin c (C30H32O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)C=CC(O4)(C)C)O)CC=C(C)C)O)C

InChI

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

InChIKey

GKELGBDDLUFHJZ-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylchromen-7-yl)-3,5,7-trihydroxy-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]+	489.227156	223.5
[M+Na]+	511.209098	231.9
[M-H]-	487.212604	229.8
[M+NH4]+	506.253703	230.9
[M+K]+	527.183038	228.4
[M+H-H2O]+	471.217140	214.5
[M+HCOO]-	533.218081	232.8
[M+CH3COO]-	547.233731	242.1
[M+Na-2H]-	509.194546	221.1
[M]+	488.21933142	228.9
[M]-	488.22042858	228.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.227156

223.5

[M+Na]+

511.209098

231.9

[M-H]-

487.212604

229.8

[M+NH4]+

506.253703

230.9

[M+K]+

527.183038

228.4

[M+H-H2O]+

471.217140

214.5

[M+HCOO]-

533.218081

232.8

[M+CH3COO]-

547.233731

242.1

[M+Na-2H]-

509.194546

221.1

[M]+

488.21933142

228.9

[M]-

488.22042858

228.9

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

Dorsilurin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe