CID 5003667

Naringenin trimethyl ether

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
InChI
InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
InChIKey
MQFSCAHSIUPLSB-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

29
Patents

314.11542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 170.3
[M+Na]+ 337.10464 179.0
[M-H]- 313.10814 179.0
[M+NH4]+ 332.14924 184.8
[M+K]+ 353.07858 177.7
[M+H-H2O]+ 297.11268 161.9
[M+HCOO]- 359.11362 190.3
[M+CH3COO]- 373.12927 208.1
[M+Na-2H]- 335.09009 174.8
[M]+ 314.11487 175.7
[M]- 314.11597 175.7
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