CID 5758247

(e)-1-(4-methoxyphenyl)-3-(5-(4-methoxyphenyl)furan-2-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C21H18O4
SMILES
COC1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H18O4/c1-23-17-7-3-15(4-8-17)20(22)13-11-19-12-14-21(25-19)16-5-9-18(24-2)10-6-16/h3-14H,1-2H3/b13-11+
InChIKey
JPNJBYMHDQSKJZ-ACCUITESSA-N
Compound name
(E)-1-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12778 178.9
[M+Na]+ 357.10972 186.6
[M-H]- 333.11322 189.8
[M+NH4]+ 352.15432 192.8
[M+K]+ 373.08366 183.5
[M+H-H2O]+ 317.11776 170.6
[M+HCOO]- 379.11870 202.3
[M+CH3COO]- 393.13435 209.1
[M+Na-2H]- 355.09517 180.4
[M]+ 334.11995 183.9
[M]- 334.12105 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.