CID 14483495

Pongagallone a

Structural Information

Molecular Formula
C22H24O4
SMILES
CC(=CCC1=CC(=C(C=C1OC)OC)C(=O)/C=C(/C2=CC=CC=C2)\O)C
InChI
InChI=1S/C22H24O4/c1-15(2)10-11-17-12-18(22(26-4)14-21(17)25-3)20(24)13-19(23)16-8-6-5-7-9-16/h5-10,12-14,23H,11H2,1-4H3/b19-13-
InChIKey
HYEHSSXMOHMVLQ-UYRXBGFRSA-N
Compound name
(Z)-1-[2,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxy-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

352.16745 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 185.2
[M+Na]+ 375.15667 190.5
[M-H]- 351.16017 190.2
[M+NH4]+ 370.20127 197.4
[M+K]+ 391.13061 186.3
[M+H-H2O]+ 335.16471 177.1
[M+HCOO]- 397.16565 203.8
[M+CH3COO]- 411.18130 214.1
[M+Na-2H]- 373.14212 183.0
[M]+ 352.16690 188.1
[M]- 352.16800 188.1
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