CID 830608

(1e,4e)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=CC=CC=C1/C=C/C(=O)/C=C/C2=CC=CC=C2OC
InChI
InChI=1S/C19H18O3/c1-21-18-9-5-3-7-15(18)11-13-17(20)14-12-16-8-4-6-10-19(16)22-2/h3-14H,1-2H3/b13-11+,14-12+
InChIKey
RCZMPCUUTSDNAJ-PHEQNACWSA-N
Compound name
(1E,4E)-1,5-bis(2-methoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

93
Patents

294.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 170.1
[M+Na]+ 317.11480 184.2
[M+NH4]+ 312.15940 177.3
[M+K]+ 333.08874 175.8
[M-H]- 293.11830 173.7
[M+Na-2H]- 315.10025 178.1
[M]+ 294.12503 173.1
[M]- 294.12613 173.1
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