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-(2-ethyl-5-methyl-4-nitropyrazol-3-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]+ 237.09822 149.6
[M+Na]+ 259.08016 160.5
[M-H]- 235.08366 155.2
[M+NH4]+ 254.12476 165.4
[M+K]+ 275.05410 155.2
[M+H-H2O]+ 219.08820 146.4
[M+HCOO]- 281.08914 174.5
[M+CH3COO]- 295.10479 186.4
[M+Na-2H]- 257.06561 155.5
[M]+ 236.09039 153.6
[M]- 236.09149 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.