CID 11727014

Ovalitenin c

Structural Information

Molecular Formula
C19H14O5
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H14O5/c1-21-19-13(4-7-16-14(19)8-9-22-16)15(20)5-2-12-3-6-17-18(10-12)24-11-23-17/h2-10H,11H2,1H3/b5-2+
InChIKey
CBXGJWQWXNVQQH-GORDUTHDSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.08414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09142 171.9
[M+Na]+ 345.07336 181.9
[M-H]- 321.07686 183.4
[M+NH4]+ 340.11796 187.7
[M+K]+ 361.04730 181.3
[M+H-H2O]+ 305.08140 167.0
[M+HCOO]- 367.08234 193.1
[M+CH3COO]- 381.09799 185.3
[M+Na-2H]- 343.05881 176.3
[M]+ 322.08359 179.9
[M]- 322.08469 179.9
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

No patent data available for this compound.