CID 101159250

Ns00117086

Structural Information

Molecular Formula
C18H16O4
SMILES
CC(CO)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C18H16O4/c1-12(10-19)22-14-7-8-15-17(9-14)21-11-16(18(15)20)13-5-3-2-4-6-13/h2-9,11-12,19H,10H2,1H3
InChIKey
MGBMXLMPUFBMPC-UHFFFAOYSA-N
Compound name
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.3
[M+Na]+ 319.09408 174.6
[M-H]- 295.09758 173.7
[M+NH4]+ 314.13868 180.5
[M+K]+ 335.06802 171.8
[M+H-H2O]+ 279.10212 158.2
[M+HCOO]- 341.10306 186.6
[M+CH3COO]- 355.11871 201.3
[M+Na-2H]- 317.07953 172.3
[M]+ 296.10431 169.8
[M]- 296.10541 169.8
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.