CID 5355477

2',4',6'-trimethylchalcone

Structural Information

Molecular Formula
C18H18O
SMILES
CC1=CC(=C(C(=C1)C)C(=O)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C18H18O/c1-13-11-14(2)18(15(3)12-13)17(19)10-9-16-7-5-4-6-8-16/h4-12H,1-3H3/b10-9+
InChIKey
FLJAEHNSTVEODG-MDZDMXLPSA-N
Compound name
(E)-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

250.13577 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.14305 157.6
[M+Na]+ 273.12499 165.8
[M-H]- 249.12849 164.7
[M+NH4]+ 268.16959 175.2
[M+K]+ 289.09893 160.9
[M+H-H2O]+ 233.13303 150.5
[M+HCOO]- 295.13397 180.4
[M+CH3COO]- 309.14962 198.0
[M+Na-2H]- 271.11044 160.3
[M]+ 250.13522 158.7
[M]- 250.13632 158.7
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

No patent data available for this compound.