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]+ 245.13970 156.6
[M+Na]+ 267.12164 164.2
[M-H]- 243.12514 159.7
[M+NH4]+ 262.16624 171.9
[M+K]+ 283.09558 159.6
[M+H-H2O]+ 227.12968 148.2
[M+HCOO]- 289.13062 178.9
[M+CH3COO]- 303.14627 196.1
[M+Na-2H]- 265.10709 158.8
[M]+ 244.13187 154.1
[M]- 244.13297 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.