CID 5471311

Artelasticin

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H34O6/c1-16(2)7-11-21-26(33)22(12-8-17(3)4)30-25(27(21)34)28(35)23(13-9-18(5)6)29(36-30)20-14-10-19(31)15-24(20)32/h7-10,14-15,31-34H,11-13H2,1-6H3

InChIKey

UEEBMAIKXXZTAU-UHFFFAOYSA-N

Compound name

2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)chromen-4-one

Related CIDs

2D Structure

1
Annotation Hits: 2
References: 1
Patents: 490.23553 Da
Monoisotopic Mass: 8.1
XlogP (predicted)

Profile

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]+	491.24281	223.1
[M+Na]+	513.22475	229.6
[M-H]-	489.22825	226.4
[M+NH4]+	508.26935	228.2
[M+K]+	529.19869	224.3
[M+H-H2O]+	473.23279	214.9
[M+HCOO]-	535.23373	233.1
[M+CH3COO]-	549.24938	241.3
[M+Na-2H]-	511.21020	215.4
[M]+	490.23498	227.1
[M]-	490.23608	227.1

Literature stripe

Patent stripe