CID 3073015

145440-94-4

Structural Information

Molecular Formula
C12H11N3O4
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C12H11N3O4/c1-7-4-3-5-10(15(17)18)11(7)13-12(16)9-6-8(2)19-14-9/h3-6H,1-2H3,(H,13,16)
InChIKey
BTANXWFNWKZOAO-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-methyl-6-nitrophenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.082226 156.0
[M+Na]+ 284.064168 163.3
[M-H]- 260.067674 163.0
[M+NH4]+ 279.108773 170.6
[M+K]+ 300.038108 158.0
[M+H-H2O]+ 244.072210 152.8
[M+HCOO]- 306.073151 181.2
[M+CH3COO]- 320.088801 191.6
[M+Na-2H]- 282.049616 162.3
[M]+ 261.07440142 156.6
[M]- 261.07549858 156.6
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.