CID 90005374

1574285-36-1

Structural Information

Molecular Formula
C14H15F2NO4
SMILES
CC(C)OC1=C(C=CC(=C1)C2=NC(=CO2)CO)OC(F)F
InChI
InChI=1S/C14H15F2NO4/c1-8(2)20-12-5-9(3-4-11(12)21-14(15)16)13-17-10(6-18)7-19-13/h3-5,7-8,14,18H,6H2,1-2H3
InChIKey
UBKWJLUYNNFPMD-UHFFFAOYSA-N
Compound name
[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

299.09692 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.104196 164.3
[M+Na]+ 322.086138 172.3
[M-H]- 298.089644 166.9
[M+NH4]+ 317.130743 177.9
[M+K]+ 338.060078 170.9
[M+H-H2O]+ 282.094180 155.1
[M+HCOO]- 344.095121 182.4
[M+CH3COO]- 358.110771 200.8
[M+Na-2H]- 320.071586 164.5
[M]+ 299.09637142 166.9
[M]- 299.09746858 166.9
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

patents stripe