CID 1549719

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

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)/C=C\C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3-,10-4+
InChIKey
IOZVKDXPBWBUKY-INWPEIIHSA-N
Compound name
(1Z,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

131
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

No literature data available for this compound.

Patent stripe

patents stripe