CID 15100719

Altisin

Structural Information

Molecular Formula

C₁₉H₁₈O₇

SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC

InChI

InChI=1S/C19H18O7/c1-22-12-6-5-7-13(23-2)17(12)14-8-10(20)16-11(21)9-15(24-3)18(25-4)19(16)26-14/h5-9,21H,1-4H3

InChIKey

SSJWWCKNRIUXON-UHFFFAOYSA-N

Compound name

2-(2,6-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 300
Patents: 358.10526 Da
Monoisotopic Mass: 3.3
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]+	359.112536	179.5
[M+Na]+	381.094478	190.4
[M-H]-	357.097984	188.1
[M+NH4]+	376.139083	192.0
[M+K]+	397.068418	189.6
[M+H-H2O]+	341.102520	170.8
[M+HCOO]-	403.103461	200.6
[M+CH3COO]-	417.119111	215.4
[M+Na-2H]-	379.079926	183.7
[M]+	358.10471142	189.9
[M]-	358.10580858	189.9

Literature stripe

literature stripe

Patent stripe

patents stripe