CID 2880752

3-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C18H18O3
SMILES
CC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C18H18O3/c1-13-4-6-14(7-5-13)17(19)11-9-15-8-10-16(20-2)12-18(15)21-3/h4-12H,1-3H3
InChIKey
YRNWOYJYVPHYFY-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 164.9
[M+Na]+ 305.11480 172.8
[M-H]- 281.11830 171.8
[M+NH4]+ 300.15940 180.9
[M+K]+ 321.08874 169.1
[M+H-H2O]+ 265.12284 157.1
[M+HCOO]- 327.12378 188.0
[M+CH3COO]- 341.13943 202.1
[M+Na-2H]- 303.10025 167.5
[M]+ 282.12503 168.7
[M]- 282.12613 168.7
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

No patent data available for this compound.