CID 6481172

5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-chromen-4-one

Structural Information

Molecular Formula
C22H22O4
SMILES
CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)C=C(O2)C3=CC=CC=C3)C
InChI
InChI=1S/C22H22O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,12-13H,11H2,1-4H3
InChIKey
JPAMSULFKSPBNM-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15908 183.7
[M+Na]+ 373.14102 192.8
[M-H]- 349.14452 192.5
[M+NH4]+ 368.18562 196.9
[M+K]+ 389.11496 189.6
[M+H-H2O]+ 333.14906 174.9
[M+HCOO]- 395.15000 204.2
[M+CH3COO]- 409.16565 216.7
[M+Na-2H]- 371.12647 186.5
[M]+ 350.15125 190.3
[M]- 350.15235 190.3
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

No patent data available for this compound.