CID 42607548

Glabrachalcone

Structural Information

Molecular Formula
C23H24O6
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC)C
InChI
InChI=1S/C23H24O6/c1-23(2)11-10-16-18(29-23)9-7-15(22(16)25)17(24)8-6-14-12-20(27-4)21(28-5)13-19(14)26-3/h6-13,25H,1-5H3/b8-6+
InChIKey
JNBKPNKHWDVXRA-SOFGYWHQSA-N
Compound name
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

396.1573 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 193.5
[M+Na]+ 419.14652 202.2
[M-H]- 395.15002 201.0
[M+NH4]+ 414.19112 206.1
[M+K]+ 435.12046 200.2
[M+H-H2O]+ 379.15456 185.1
[M+HCOO]- 441.15550 211.0
[M+CH3COO]- 455.17115 222.9
[M+Na-2H]- 417.13197 195.5
[M]+ 396.15675 201.1
[M]- 396.15785 201.1
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