PubChemLite - Euchrenone b1 (C30H34O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C(=C(C(=C3C2=O)O)CC=C(C)C)O)CC=C(C)C)O)C

InChI

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

InChIKey

GBANFZMBHZDAOG-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-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]+	475.24791	220.1
[M+Na]+	497.22985	226.6
[M-H]-	473.23335	224.5
[M+NH4]+	492.27445	226.4
[M+K]+	513.20379	220.8
[M+H-H2O]+	457.23789	211.6
[M+HCOO]-	519.23883	231.5
[M+CH3COO]-	533.25448	239.4
[M+Na-2H]-	495.21530	213.3
[M]+	474.24008	224.0
[M]-	474.24118	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.24791

220.1

[M+Na]+

497.22985

226.6

[M-H]-

473.23335

224.5

[M+NH4]+

492.27445

226.4

[M+K]+

513.20379

220.8

[M+H-H2O]+

457.23789

211.6

[M+HCOO]-

519.23883

231.5

[M+CH3COO]-

533.25448

239.4

[M+Na-2H]-

495.21530

213.3

[M]+

474.24008

224.0

[M]-

474.24118

224.0

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

Euchrenone b1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe