CID 14078481

Eriodictyol 7,3',4'-trimethyl ether

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC
InChI
InChI=1S/C18H18O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-8,15,19H,9H2,1-3H3
InChIKey
MRFOCZPULZWYTJ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

330.11035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 173.4
[M+Na]+ 353.09957 182.3
[M-H]- 329.10307 181.1
[M+NH4]+ 348.14417 186.7
[M+K]+ 369.07351 181.0
[M+H-H2O]+ 313.10761 165.3
[M+HCOO]- 375.10855 192.0
[M+CH3COO]- 389.12420 209.4
[M+Na-2H]- 351.08502 176.9
[M]+ 330.10980 178.9
[M]- 330.11090 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe