CID 46808729

Isopropyl 3-methylflavone-8-carboxylate

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H18O4/c1-12(2)23-20(22)16-11-7-10-15-17(21)13(3)18(24-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3
InChIKey
AGGXILIQAJZBJD-UHFFFAOYSA-N
Compound name
propan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 174.0
[M+Na]+ 345.109718 182.9
[M-H]- 321.113224 182.9
[M+NH4]+ 340.154323 188.0
[M+K]+ 361.083658 180.6
[M+H-H2O]+ 305.117760 165.7
[M+HCOO]- 367.118701 194.3
[M+CH3COO]- 381.134351 210.4
[M+Na-2H]- 343.095166 177.5
[M]+ 322.11995142 179.0
[M]- 322.12104858 179.0
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.