CID 746428

2,8-dimethyl-3-(2-methylphenyl)-4-oxo-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C)OC(=O)C)C
InChI
InChI=1S/C20H18O4/c1-11-7-5-6-8-15(11)18-13(3)23-20-12(2)17(24-14(4)21)10-9-16(20)19(18)22/h5-10H,1-4H3
InChIKey
JHZFQFGFYSOHPC-UHFFFAOYSA-N
Compound name
[2,8-dimethyl-3-(2-methylphenyl)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 173.6
[M+Na]+ 345.109718 184.6
[M-H]- 321.113224 183.2
[M+NH4]+ 340.154323 188.3
[M+K]+ 361.083658 181.9
[M+H-H2O]+ 305.117760 165.4
[M+HCOO]- 367.118701 194.8
[M+CH3COO]- 381.134351 212.1
[M+Na-2H]- 343.095166 176.9
[M]+ 322.11995142 180.1
[M]- 322.12104858 180.1
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

No patent data available for this compound.