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]+ 262.08223 156.0
[M+Na]+ 284.06417 163.3
[M-H]- 260.06767 163.0
[M+NH4]+ 279.10877 170.6
[M+K]+ 300.03811 158.0
[M+H-H2O]+ 244.07221 152.8
[M+HCOO]- 306.07315 181.2
[M+CH3COO]- 320.08880 191.6
[M+Na-2H]- 282.04962 162.3
[M]+ 261.07440 156.6
[M]- 261.07550 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.