PubChemLite - Rubraflavone b (C30H34O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC1=C(OC2=C(C1=O)C=CC(=C2CC=C(C)C)O)C3=C(C=C(C=C3)O)O)/C)C

InChI

InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-13-24-28(34)25-15-16-26(32)22(12-9-19(3)4)29(25)35-30(24)23-14-11-21(31)17-27(23)33/h7,9-11,14-17,31-33H,6,8,12-13H2,1-5H3/b20-10+

InChIKey

HCSUUBNHCMBDJW-KEBDBYFISA-N

Compound name

2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-8-(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]+	475.24791	220.5
[M+Na]+	497.22985	233.1
[M+NH4]+	492.27445	224.1
[M+K]+	513.20379	226.3
[M-H]-	473.23335	223.4
[M+Na-2H]-	495.21530	221.8
[M]+	474.24008	223.0
[M]-	474.24118	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.24791

220.5

[M+Na]+

497.22985

233.1

[M+NH4]+

492.27445

224.1

[M+K]+

513.20379

226.3

[M-H]-

473.23335

223.4

[M+Na-2H]-

495.21530

221.8

[M]+

474.24008

223.0

[M]-

474.24118

223.0

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

Rubraflavone b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe