CID 631170

855-97-0

Structural Information

Molecular Formula
C19H18O6
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-10H,1-4H3
InChIKey
CLXVBVLQKLQNRQ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

173
Patents

342.11035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.3
[M+Na]+ 365.09957 193.0
[M+NH4]+ 360.14417 183.6
[M+K]+ 381.07351 186.0
[M-H]- 341.10307 182.0
[M+Na-2H]- 363.08502 183.5
[M]+ 342.10980 180.5
[M]- 342.11090 180.5
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