CID 3061961

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

Structural Information

Molecular Formula
C13H14N4O3
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=NNC(=C2[N+](=O)[O-])C
InChI
InChI=1S/C13H14N4O3/c1-8-3-5-10(6-4-8)7-14-13(18)11-12(17(19)20)9(2)15-16-11/h3-6H,7H2,1-2H3,(H,14,18)(H,15,16)
InChIKey
SJYLXSDQUIDCAC-UHFFFAOYSA-N
Compound name
5-methyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1066 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11388 160.1
[M+Na]+ 297.09582 171.7
[M+NH4]+ 292.14042 165.8
[M+K]+ 313.06976 171.3
[M-H]- 273.09932 163.0
[M+Na-2H]- 295.08127 165.6
[M]+ 274.10605 162.1
[M]- 274.10715 162.1
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.