CID 5319759

O-methylpongamol

Structural Information

Molecular Formula
C19H16O4
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)/C=C(/C3=CC=CC=C3)\OC
InChI
InChI=1S/C19H16O4/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/h3-12H,1-2H3/b18-12-
InChIKey
AZSIHEYWWIVBPP-PDGQHHTCSA-N
Compound name
(Z)-3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 171.0
[M+Na]+ 331.09408 179.4
[M-H]- 307.09758 179.9
[M+NH4]+ 326.13868 187.1
[M+K]+ 347.06802 176.9
[M+H-H2O]+ 291.10212 163.7
[M+HCOO]- 353.10306 194.0
[M+CH3COO]- 367.11871 204.3
[M+Na-2H]- 329.07953 174.7
[M]+ 308.10431 177.1
[M]- 308.10541 177.1
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

patents stripe