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]+ 300.10420 164.3
[M+Na]+ 322.08614 172.3
[M-H]- 298.08964 166.9
[M+NH4]+ 317.13074 177.9
[M+K]+ 338.06008 170.9
[M+H-H2O]+ 282.09418 155.1
[M+HCOO]- 344.09512 182.4
[M+CH3COO]- 358.11077 200.8
[M+Na-2H]- 320.07159 164.5
[M]+ 299.09637 166.9
[M]- 299.09747 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