CID 5355684

Go-y034

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

21
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

literature stripe

Patent stripe

patents stripe