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]+ 323.12778 173.6
[M+Na]+ 345.10972 184.6
[M-H]- 321.11322 183.2
[M+NH4]+ 340.15432 188.3
[M+K]+ 361.08366 181.9
[M+H-H2O]+ 305.11776 165.4
[M+HCOO]- 367.11870 194.8
[M+CH3COO]- 381.13435 212.1
[M+Na-2H]- 343.09517 176.9
[M]+ 322.11995 180.1
[M]- 322.12105 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.