CID 16773839

N-(3-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C11H10FN3O2
SMILES
CC1=C(C=NO1)C(=O)NC2=CC(=C(C=C2)F)N
InChI
InChI=1S/C11H10FN3O2/c1-6-8(5-14-17-6)11(16)15-7-2-3-9(12)10(13)4-7/h2-5H,13H2,1H3,(H,15,16)
InChIKey
JOYDRIZPKCJWSN-UHFFFAOYSA-N
Compound name
N-(3-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0757 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08298 149.8
[M+Na]+ 258.06492 158.7
[M-H]- 234.06842 155.2
[M+NH4]+ 253.10952 166.1
[M+K]+ 274.03886 156.5
[M+H-H2O]+ 218.07296 141.3
[M+HCOO]- 280.07390 173.7
[M+CH3COO]- 294.08955 194.6
[M+Na-2H]- 256.05037 153.5
[M]+ 235.07515 148.9
[M]- 235.07625 148.9
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

No patent data available for this compound.