CID 321346

102101-05-3

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O
InChI
InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3
InChIKey
CKEXCBVNKRHAMX-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

87
Patents

300.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.0
[M+Na]+ 323.08898 174.7
[M-H]- 299.09248 173.5
[M+NH4]+ 318.13358 180.4
[M+K]+ 339.06292 172.8
[M+H-H2O]+ 283.09702 158.1
[M+HCOO]- 345.09796 184.9
[M+CH3COO]- 359.11361 202.8
[M+Na-2H]- 321.07443 170.6
[M]+ 300.09921 169.3
[M]- 300.10031 169.3
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