CID 854105

8-methyl-7-((3-methyl-2-butenyl)oxy)-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C21H20O3
SMILES
CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC=C(C)C
InChI
InChI=1S/C21H20O3/c1-14(2)11-12-23-19-10-9-17-18(16-7-5-4-6-8-16)13-20(22)24-21(17)15(19)3/h4-11,13H,12H2,1-3H3
InChIKey
TWEYRHQQJRXOND-UHFFFAOYSA-N
Compound name
8-methyl-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.14124 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 175.9
[M+Na]+ 343.13046 184.8
[M-H]- 319.13396 184.6
[M+NH4]+ 338.17506 190.2
[M+K]+ 359.10440 181.0
[M+H-H2O]+ 303.13850 167.4
[M+HCOO]- 365.13944 196.7
[M+CH3COO]- 379.15509 210.3
[M+Na-2H]- 341.11591 179.9
[M]+ 320.14069 180.4
[M]- 320.14179 180.4
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

No patent data available for this compound.