CID 36995404

170855-30-8

Structural Information

Molecular Formula
C15H16FNO4
SMILES
CC1=C(C(=O)N(CO1)C(C)(C)C(=O)O)C2=CC=CC=C2F
InChI
InChI=1S/C15H16FNO4/c1-9-12(10-6-4-5-7-11(10)16)13(18)17(8-21-9)15(2,3)14(19)20/h4-7H,8H2,1-3H3,(H,19,20)
InChIKey
VCYDHNHROVDGFN-UHFFFAOYSA-N
Compound name
2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.10632 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11360 164.6
[M+Na]+ 316.09554 172.6
[M-H]- 292.09904 168.4
[M+NH4]+ 311.14014 176.9
[M+K]+ 332.06948 170.6
[M+H-H2O]+ 276.10358 156.4
[M+HCOO]- 338.10452 179.6
[M+CH3COO]- 352.12017 201.4
[M+Na-2H]- 314.08099 167.1
[M]+ 293.10577 164.2
[M]- 293.10687 164.2
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