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]+ 275.113876 159.5
[M+Na]+ 297.095818 164.8
[M-H]- 273.099324 162.9
[M+NH4]+ 292.140423 172.6
[M+K]+ 313.069758 157.5
[M+H-H2O]+ 257.103860 155.5
[M+HCOO]- 319.104801 181.5
[M+CH3COO]- 333.120451 192.0
[M+Na-2H]- 295.081266 164.0
[M]+ 274.10605142 156.1
[M]- 274.10714858 156.1
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.