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

literature stripe

Patent stripe

patents stripe