CID 9862769

Morachalcone a

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C
InChI
InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
InChIKey
NXBYIJSAISXPKJ-WEVVVXLNSA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

19
Patents

340.13107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.8
[M+Na]+ 363.12029 186.4
[M-H]- 339.12379 181.6
[M+NH4]+ 358.16489 190.8
[M+K]+ 379.09423 180.6
[M+H-H2O]+ 323.12833 172.8
[M+HCOO]- 385.12927 195.5
[M+CH3COO]- 399.14492 205.4
[M+Na-2H]- 361.10574 177.0
[M]+ 340.13052 179.2
[M]- 340.13162 179.2
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