CID 16771371

N-[4-amino-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C12H10F3N3O2
SMILES
CC1=C(C=NO1)C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H10F3N3O2/c1-6-8(5-17-20-6)11(19)18-7-2-3-10(16)9(4-7)12(13,14)15/h2-5H,16H2,1H3,(H,18,19)
InChIKey
UUSJIWQIOZVHCE-UHFFFAOYSA-N
Compound name
N-[4-amino-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07978 163.4
[M+Na]+ 308.06172 170.9
[M+NH4]+ 303.10632 167.1
[M+K]+ 324.03566 169.2
[M-H]- 284.06522 162.3
[M+Na-2H]- 306.04717 166.5
[M]+ 285.07195 163.6
[M]- 285.07305 163.6
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.