CID 15160711

Ovalitenin b

Structural Information

Molecular Formula
C19H18O4
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)CC(C3=CC=CC=C3)OC
InChI
InChI=1S/C19H18O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-11,18H,12H2,1-2H3
InChIKey
AADNEQWIZKTMBL-UHFFFAOYSA-N
Compound name
3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 172.0
[M+Na]+ 333.10972 179.9
[M-H]- 309.11322 180.7
[M+NH4]+ 328.15432 187.9
[M+K]+ 349.08366 178.0
[M+H-H2O]+ 293.11776 164.5
[M+HCOO]- 355.11870 194.7
[M+CH3COO]- 369.13435 205.7
[M+Na-2H]- 331.09517 175.6
[M]+ 310.11995 178.8
[M]- 310.12105 178.8
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.