CID 11036190

Spinochalcone a

Structural Information

Molecular Formula
C25H28O3
SMILES
CC(=CCC1=CC(=C(C(=C1O)CC=C(C)C)O)C(=O)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C25H28O3/c1-17(2)10-13-20-16-22(23(26)15-12-19-8-6-5-7-9-19)25(28)21(24(20)27)14-11-18(3)4/h5-12,15-16,27-28H,13-14H2,1-4H3/b15-12+
InChIKey
ITNWMWFHXYZVLD-NTCAYCPXSA-N
Compound name
(E)-1-[2,4-dihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

376.20386 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 194.0
[M+Na]+ 399.19308 198.9
[M-H]- 375.19658 197.4
[M+NH4]+ 394.23768 204.8
[M+K]+ 415.16702 192.0
[M+H-H2O]+ 359.20112 186.2
[M+HCOO]- 421.20206 210.0
[M+CH3COO]- 435.21771 218.4
[M+Na-2H]- 397.17853 189.0
[M]+ 376.20331 194.2
[M]- 376.20441 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.