CID 3061963

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

Structural Information

Molecular Formula
C13H16N4O
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=NNC(=C2N)C
InChI
InChI=1S/C13H16N4O/c1-8-3-5-10(6-4-8)7-15-13(18)12-11(14)9(2)16-17-12/h3-6H,7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
UFIFAKNZBLMBME-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13242 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.139696 156.6
[M+Na]+ 267.121638 164.2
[M-H]- 243.125144 159.7
[M+NH4]+ 262.166243 171.9
[M+K]+ 283.095578 159.6
[M+H-H2O]+ 227.129680 148.2
[M+HCOO]- 289.130621 178.9
[M+CH3COO]- 303.146271 196.1
[M+Na-2H]- 265.107086 158.8
[M]+ 244.13187142 154.1
[M]- 244.13296858 154.1
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.