CID 11992122

Helikrausichalcone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1(C(CC2=C(O1)C=C(C(=C2O)C(=O)/C=C/C3=CC=CC=C3)O)O)C
InChI
InChI=1S/C20H20O5/c1-20(2)17(23)10-13-16(25-20)11-15(22)18(19(13)24)14(21)9-8-12-6-4-3-5-7-12/h3-9,11,17,22-24H,10H2,1-2H3/b9-8+
InChIKey
QEISUXVWYCBWPL-CMDGGOBGSA-N
Compound name
(E)-3-phenyl-1-(3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.6
[M+Na]+ 363.12029 187.2
[M-H]- 339.12379 184.2
[M+NH4]+ 358.16489 192.9
[M+K]+ 379.09423 183.3
[M+H-H2O]+ 323.12833 172.6
[M+HCOO]- 385.12927 193.5
[M+CH3COO]- 399.14492 206.5
[M+Na-2H]- 361.10574 181.9
[M]+ 340.13052 179.4
[M]- 340.13162 179.4
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.