CID 11581580

Spinochalcone b

Structural Information

Molecular Formula
C25H26O3
SMILES
CC(=CCCC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3)C)C
InChI
InChI=1S/C25H26O3/c1-18(2)8-7-16-25(3)17-15-21-23(28-25)14-12-20(24(21)27)22(26)13-11-19-9-5-4-6-10-19/h4-6,8-15,17,27H,7,16H2,1-3H3/b13-11+
InChIKey
XKBWBVSFQXIHLM-ACCUITESSA-N
Compound name
(E)-1-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

374.1882 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.195476 194.1
[M+Na]+ 397.177418 199.9
[M-H]- 373.180924 200.2
[M+NH4]+ 392.222023 206.9
[M+K]+ 413.151358 194.7
[M+H-H2O]+ 357.185460 185.7
[M+HCOO]- 419.186401 209.7
[M+CH3COO]- 433.202051 217.8
[M+Na-2H]- 395.162866 195.2
[M]+ 374.18765142 195.2
[M]- 374.18874858 195.2
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

patents stripe