CID 6447135

Chalkone, alpha-methyl-4,4'-dimethoxy-, trans-

Structural Information

Molecular Formula
C18H18O3
SMILES
C/C(=C\C1=CC=C(C=C1)OC)/C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H18O3/c1-13(12-14-4-8-16(20-2)9-5-14)18(19)15-6-10-17(21-3)11-7-15/h4-12H,1-3H3/b13-12+
InChIKey
CBJPTGCDCDBCKY-OUKQBFOZSA-N
Compound name
(E)-1,3-bis(4-methoxyphenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

282.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 165.4
[M+Na]+ 305.11480 172.1
[M-H]- 281.11830 172.1
[M+NH4]+ 300.15940 181.1
[M+K]+ 321.08874 168.9
[M+H-H2O]+ 265.12284 157.6
[M+HCOO]- 327.12378 187.5
[M+CH3COO]- 341.13943 201.8
[M+Na-2H]- 303.10025 167.5
[M]+ 282.12503 168.3
[M]- 282.12613 168.3
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