CID 14018792

5-methoxyhinokinin

Structural Information

Molecular Formula
C21H20O7
SMILES
COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C21H20O7/c1-23-18-7-13(8-19-20(18)28-11-27-19)5-15-14(9-24-21(15)22)4-12-2-3-16-17(6-12)26-10-25-16/h2-3,6-8,14-15H,4-5,9-11H2,1H3
InChIKey
GDOAQHHMFNQXLJ-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.128176 184.5
[M+Na]+ 407.110118 192.3
[M-H]- 383.113624 199.5
[M+NH4]+ 402.154723 196.5
[M+K]+ 423.084058 194.7
[M+H-H2O]+ 367.118160 182.8
[M+HCOO]- 429.119101 200.4
[M+CH3COO]- 443.134751 196.6
[M+Na-2H]- 405.095566 184.3
[M]+ 384.12035142 192.1
[M]- 384.12144858 192.1
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

No patent data available for this compound.