CID 25625353

5-methyl-n-(3-nitrophenyl)-1,2-oxazole-4-carboxamide

Structural Information

Molecular Formula
C11H9N3O4
SMILES
CC1=C(C=NO1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O4/c1-7-10(6-12-18-7)11(15)13-8-3-2-4-9(5-8)14(16)17/h2-6H,1H3,(H,13,15)
InChIKey
KXPAHNHHCVICGF-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05931 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 151.1
[M+Na]+ 270.04853 158.0
[M-H]- 246.05203 157.9
[M+NH4]+ 265.09313 166.0
[M+K]+ 286.02247 152.9
[M+H-H2O]+ 230.05657 147.8
[M+HCOO]- 292.05751 176.6
[M+CH3COO]- 306.07316 187.4
[M+Na-2H]- 268.03398 158.6
[M]+ 247.05876 151.0
[M]- 247.05986 151.0
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.