CID 5320675

Schembl900825

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)/C=C(/C3=CC=CC=C3)\O
InChI
InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-
InChIKey
IHWPQGIYXJKCOV-PTNGSMBKSA-N
Compound name
(Z)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

404
Patents

294.0892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 166.4
[M+Na]+ 317.07842 174.8
[M-H]- 293.08192 174.0
[M+NH4]+ 312.12302 182.3
[M+K]+ 333.05236 171.6
[M+H-H2O]+ 277.08646 159.5
[M+HCOO]- 339.08740 188.1
[M+CH3COO]- 353.10305 198.9
[M+Na-2H]- 315.06387 170.2
[M]+ 294.08865 170.4
[M]- 294.08975 170.4
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