PubChemLite - Exiguaflavanone d (C31H38O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)OC)O)CC(CC=C(C)C)C(=C)C)O)C

InChI

InChI=1S/C31H38O7/c1-16(2)8-10-19(18(5)6)12-22-29(35)21(11-9-17(3)4)30(36)28-25(34)15-26(38-31(22)28)27-23(32)13-20(37-7)14-24(27)33/h8-9,13-14,19,26,32-33,35-36H,5,10-12,15H2,1-4,6-7H3

InChIKey

GVIHRMQHJHVHCT-UHFFFAOYSA-N

Compound name

2-(2,6-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-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]+	523.26908	229.3
[M+Na]+	545.25102	232.8
[M-H]-	521.25452	231.5
[M+NH4]+	540.29562	232.6
[M+K]+	561.22496	229.2
[M+H-H2O]+	505.25906	221.4
[M+HCOO]-	567.26000	235.3
[M+CH3COO]-	581.27565	249.0
[M+Na-2H]-	543.23647	218.8
[M]+	522.26125	231.8
[M]-	522.26235	231.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.26908

229.3

[M+Na]+

545.25102

232.8

[M-H]-

521.25452

231.5

[M+NH4]+

540.29562

232.6

[M+K]+

561.22496

229.2

[M+H-H2O]+

505.25906

221.4

[M+HCOO]-

567.26000

235.3

[M+CH3COO]-

581.27565

249.0

[M+Na-2H]-

543.23647

218.8

[M]+

522.26125

231.8

[M]-

522.26235

231.8

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

Exiguaflavanone d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe