CID 25202158

Dalnigrein

Structural Information

Molecular Formula

C₁₉H₁₈O₇

SMILES

COC1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)OC)O)OC)OC

InChI

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

InChIKey

HCBHUSZRPOFQMN-UHFFFAOYSA-N

Compound name

7-hydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 0
Patents: 358.10526 Da
Monoisotopic Mass: 2.7
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

No patent data available for this compound.