PubChemLite - Sophoraflavanone g (C25H28O6)

Structural Information

Molecular Formula

SMILES

CC(=CC[C@H](CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C

InChI

InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15-,23+/m1/s1

InChIKey

XRYVAQQLDYTHCL-CMJOXMDJSA-N

Compound name

(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-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]+	425.19588	203.3
[M+Na]+	447.17782	213.9
[M+NH4]+	442.22242	207.0
[M+K]+	463.15176	209.8
[M-H]-	423.18132	205.1
[M+Na-2H]-	445.16327	203.3
[M]+	424.18805	205.0
[M]-	424.18915	205.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.19588

203.3

[M+Na]+

447.17782

213.9

[M+NH4]+

442.22242

207.0

[M+K]+

463.15176

209.8

[M-H]-

423.18132

205.1

[M+Na-2H]-

445.16327

203.3

[M]+

424.18805

205.0

[M]-

424.18915

205.0

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

Sophoraflavanone g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe