CID 42607517

2',4'-dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone

Structural Information

Molecular Formula
C20H20O3
SMILES
CC(C)(C=C)C1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C20H20O3/c1-4-20(2,3)18-17(22)13-11-15(19(18)23)16(21)12-10-14-8-6-5-7-9-14/h4-13,22-23H,1H2,2-3H3/b12-10+
InChIKey
ATYPSCXFVMUEII-ZRDIBKRKSA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(2-methylbut-3-en-2-yl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.14124 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 173.1
[M+Na]+ 331.13046 179.9
[M-H]- 307.13396 177.2
[M+NH4]+ 326.17506 186.6
[M+K]+ 347.10440 174.0
[M+H-H2O]+ 291.13850 166.2
[M+HCOO]- 353.13944 191.0
[M+CH3COO]- 367.15509 202.8
[M+Na-2H]- 329.11591 174.6
[M]+ 308.14069 172.8
[M]- 308.14179 172.8
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

No patent data available for this compound.