CID 5355684

(2e)-1,3-bis(3,4-dimethoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C19H20O5
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C19H20O5/c1-21-16-9-6-13(11-18(16)23-3)5-8-15(20)14-7-10-17(22-2)19(12-14)24-4/h5-12H,1-4H3/b8-5+
InChIKey
NLVWDGQCMVBWDD-VMPITWQZSA-N
Compound name
(E)-1,3-bis(3,4-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

20
Patents

328.13107 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 175.0
[M+Na]+ 351.12029 183.0
[M-H]- 327.12379 182.1
[M+NH4]+ 346.16489 189.3
[M+K]+ 367.09423 180.6
[M+H-H2O]+ 311.12833 166.7
[M+HCOO]- 373.12927 198.1
[M+CH3COO]- 387.14492 210.6
[M+Na-2H]- 349.10574 176.6
[M]+ 328.13052 182.5
[M]- 328.13162 182.5
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.