CID 3070845

5-methyl-4-nitro-n-(1-phenylethyl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C13H14N4O3
SMILES
CC1=C(C(=NN1)C(=O)NC(C)C2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H14N4O3/c1-8(10-6-4-3-5-7-10)14-13(18)11-12(17(19)20)9(2)15-16-11/h3-8H,1-2H3,(H,14,18)(H,15,16)
InChIKey
JVKUZSVNLRSONE-UHFFFAOYSA-N
Compound name
5-methyl-4-nitro-N-(1-phenylethyl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11388 159.4
[M+Na]+ 297.09582 170.2
[M+NH4]+ 292.14042 164.9
[M+K]+ 313.06976 170.5
[M-H]- 273.09932 162.0
[M+Na-2H]- 295.08127 164.8
[M]+ 274.10605 161.1
[M]- 274.10715 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.