CID 483272

3-(1-ethyl-3-methyl-4-nitro-1h-5-pyrazolyl)-5-methyl-isoxazole

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CCN1C(=C(C(=N1)C)[N+](=O)[O-])C2=NOC(=C2)C
InChI
InChI=1S/C10H12N4O3/c1-4-13-10(8-5-6(2)17-12-8)9(14(15)16)7(3)11-13/h5H,4H2,1-3H3
InChIKey
QVZFYQADLRDUQI-UHFFFAOYSA-N
Compound name
3-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.09094 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 149.6
[M+Na]+ 259.080158 160.5
[M-H]- 235.083664 155.2
[M+NH4]+ 254.124763 165.4
[M+K]+ 275.054098 155.2
[M+H-H2O]+ 219.088200 146.4
[M+HCOO]- 281.089141 174.5
[M+CH3COO]- 295.104791 186.4
[M+Na-2H]- 257.065606 155.5
[M]+ 236.09039142 153.6
[M]- 236.09148858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.