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

7
Patents

374.1882 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19548 194.1
[M+Na]+ 397.17742 199.9
[M-H]- 373.18092 200.2
[M+NH4]+ 392.22202 206.9
[M+K]+ 413.15136 194.7
[M+H-H2O]+ 357.18546 185.7
[M+HCOO]- 419.18640 209.7
[M+CH3COO]- 433.20205 217.8
[M+Na-2H]- 395.16287 195.2
[M]+ 374.18765 195.2
[M]- 374.18875 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