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

84
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 169.1
[M+Na]+ 317.11480 176.0
[M-H]- 293.11830 175.6
[M+NH4]+ 312.15940 184.3
[M+K]+ 333.08874 171.4
[M+H-H2O]+ 277.12284 161.0
[M+HCOO]- 339.12378 192.1
[M+CH3COO]- 353.13943 202.5
[M+Na-2H]- 315.10025 171.9
[M]+ 294.12503 172.1
[M]- 294.12613 172.1
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