CID 268208

7-acetoxy-2-methylisoflavone

Structural Information

Molecular Formula
C18H14O4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-11-17(13-6-4-3-5-7-13)18(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3
InChIKey
DPIAJERHFDBLPT-UHFFFAOYSA-N
Compound name
(2-methyl-4-oxo-3-phenylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

36
Patents

294.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.2
[M+Na]+ 317.07842 181.2
[M+NH4]+ 312.12302 172.5
[M+K]+ 333.05236 173.7
[M-H]- 293.08192 170.4
[M+Na-2H]- 315.06387 172.8
[M]+ 294.08865 168.6
[M]- 294.08975 168.6
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

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