CID 854110

314743-41-4

Structural Information

Molecular Formula
C20H18O3
SMILES
CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OCC(=C)C
InChI
InChI=1S/C20H18O3/c1-13(2)12-22-17-9-14(3)10-18-20(17)16(11-19(21)23-18)15-7-5-4-6-8-15/h4-11H,1,12H2,2-3H3
InChIKey
QEQIQMVFGPRCTJ-UHFFFAOYSA-N
Compound name
7-methyl-5-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12558 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 170.9
[M+Na]+ 329.11480 180.2
[M-H]- 305.11830 179.7
[M+NH4]+ 324.15940 185.7
[M+K]+ 345.08874 176.6
[M+H-H2O]+ 289.12284 162.6
[M+HCOO]- 351.12378 192.0
[M+CH3COO]- 365.13943 208.0
[M+Na-2H]- 327.10025 175.5
[M]+ 306.12503 175.1
[M]- 306.12613 175.1
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.