CID 42607717

C20h18o7

Structural Information

Molecular Formula
C20H18O7
SMILES
COC1=C(C(=C2C=COC2=C1OC)O)C(=O)CCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H18O7/c1-23-19-16(17(22)12-7-8-25-18(12)20(19)24-2)13(21)5-3-11-4-6-14-15(9-11)27-10-26-14/h4,6-9,22H,3,5,10H2,1-2H3
InChIKey
VNTLKSDVRKGNNM-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(4-hydroxy-6,7-dimethoxy-1-benzofuran-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.10526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 182.9
[M+Na]+ 393.09448 192.7
[M-H]- 369.09798 193.6
[M+NH4]+ 388.13908 196.3
[M+K]+ 409.06842 193.2
[M+H-H2O]+ 353.10252 178.1
[M+HCOO]- 415.10346 202.2
[M+CH3COO]- 429.11911 214.9
[M+Na-2H]- 391.07993 185.6
[M]+ 370.10471 193.9
[M]- 370.10581 193.9
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