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]+ 236.082976 149.8
[M+Na]+ 258.064918 158.7
[M-H]- 234.068424 155.2
[M+NH4]+ 253.109523 166.1
[M+K]+ 274.038858 156.5
[M+H-H2O]+ 218.072960 141.3
[M+HCOO]- 280.073901 173.7
[M+CH3COO]- 294.089551 194.6
[M+Na-2H]- 256.050366 153.5
[M]+ 235.07515142 148.9
[M]- 235.07624858 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.