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]+ 248.066586 151.1
[M+Na]+ 270.048528 158.0
[M-H]- 246.052034 157.9
[M+NH4]+ 265.093133 166.0
[M+K]+ 286.022468 152.9
[M+H-H2O]+ 230.056570 147.8
[M+HCOO]- 292.057511 176.6
[M+CH3COO]- 306.073161 187.4
[M+Na-2H]- 268.033976 158.6
[M]+ 247.05876142 151.0
[M]- 247.05985858 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.