CID 5708421

2',4'-dimethylchalcone

Structural Information

Molecular Formula
C17H16O
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C17H16O/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b11-9+
InChIKey
UYTPHSQRUDNHPA-PKNBQFBNSA-N
Compound name
(E)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

236.12012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12740 153.8
[M+Na]+ 259.10934 161.5
[M-H]- 235.11284 160.6
[M+NH4]+ 254.15394 171.6
[M+K]+ 275.08328 156.7
[M+H-H2O]+ 219.11738 146.6
[M+HCOO]- 281.11832 176.9
[M+CH3COO]- 295.13397 193.9
[M+Na-2H]- 257.09479 157.7
[M]+ 236.11957 154.1
[M]- 236.12067 154.1
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