CID 14033977

Ovalichalcone

Structural Information

Molecular Formula
C22H24O4
SMILES
CC(=CCC1=C(C(=C(C=C1OC)OC)C(=O)/C=C/C2=CC=CC=C2)O)C
InChI
InChI=1S/C22H24O4/c1-15(2)10-12-17-19(25-3)14-20(26-4)21(22(17)24)18(23)13-11-16-8-6-5-7-9-16/h5-11,13-14,24H,12H2,1-4H3/b13-11+
InChIKey
QDSRQILTOUZIGL-ACCUITESSA-N
Compound name
(E)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

352.16745 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 184.9
[M+Na]+ 375.15667 191.3
[M-H]- 351.16017 190.1
[M+NH4]+ 370.20127 197.4
[M+K]+ 391.13061 186.6
[M+H-H2O]+ 335.16471 176.8
[M+HCOO]- 397.16565 204.4
[M+CH3COO]- 411.18130 214.4
[M+Na-2H]- 373.14212 183.1
[M]+ 352.16690 188.7
[M]- 352.16800 188.7
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