CID 462696

62252-10-2

Structural Information

Molecular Formula
C18H18O7
SMILES
COC1=CC(=CC(=C1OC)OC)C2CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C18H18O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-7,13,19-20H,8H2,1-3H3
InChIKey
CTALFFOVOLJORS-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

346.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11254 176.4
[M+Na]+ 369.09448 185.4
[M-H]- 345.09798 183.1
[M+NH4]+ 364.13908 188.5
[M+K]+ 385.06842 184.3
[M+H-H2O]+ 329.10252 168.5
[M+HCOO]- 391.10346 193.6
[M+CH3COO]- 405.11911 211.0
[M+Na-2H]- 367.07993 179.1
[M]+ 346.10471 182.0
[M]- 346.10581 182.0
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