CID 11108740

4-butyl-4'-hydroxychalcone

Structural Information

Molecular Formula
C19H20O2
SMILES
CCCCC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C19H20O2/c1-2-3-4-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(20)13-11-17/h5-14,20H,2-4H2,1H3/b14-9+
InChIKey
LFLVYHVGNKJGBV-NTEUORMPSA-N
Compound name
(E)-3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

280.14633 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15361 167.3
[M+Na]+ 303.13555 173.5
[M-H]- 279.13905 172.3
[M+NH4]+ 298.18015 182.5
[M+K]+ 319.10949 168.0
[M+H-H2O]+ 263.14359 159.7
[M+HCOO]- 325.14453 188.4
[M+CH3COO]- 339.16018 199.3
[M+Na-2H]- 301.12100 169.6
[M]+ 280.14578 167.8
[M]- 280.14688 167.8
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