PubChemLite - Broussoflavonol c (C30H34O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)C(C)(C)C=C)O)O)O)CC=C(C)C)C

InChI

InChI=1S/C30H34O7/c1-8-30(6,7)24-21(32)14-20(31)23-26(35)27(36)28(37-29(23)24)19-13-22(33)25(34)18(12-10-16(4)5)17(19)11-9-15(2)3/h8-10,13-14,31-34,36H,1,11-12H2,2-7H3

InChIKey

HHTKCKAMIUFCSO-UHFFFAOYSA-N

Compound name

2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(2-methylbut-3-en-2-yl)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]+	507.23772	225.2
[M+Na]+	529.21966	232.1
[M-H]-	505.22316	227.7
[M+NH4]+	524.26426	229.1
[M+K]+	545.19360	227.6
[M+H-H2O]+	489.22770	217.6
[M+HCOO]-	551.22864	233.1
[M+CH3COO]-	565.24429	243.5
[M+Na-2H]-	527.20511	219.2
[M]+	506.22989	229.5
[M]-	506.23099	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.23772

225.2

[M+Na]+

529.21966

232.1

[M-H]-

505.22316

227.7

[M+NH4]+

524.26426

229.1

[M+K]+

545.19360

227.6

[M+H-H2O]+

489.22770

217.6

[M+HCOO]-

551.22864

233.1

[M+CH3COO]-

565.24429

243.5

[M+Na-2H]-

527.20511

219.2

[M]+

506.22989

229.5

[M]-

506.23099

229.5

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

Broussoflavonol c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe