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 157.1
[M+Na]+ 267.12164 167.6
[M+NH4]+ 262.16624 163.3
[M+K]+ 283.09558 164.2
[M-H]- 243.12514 159.5
[M+Na-2H]- 265.10709 162.9
[M]+ 244.13187 158.8
[M]- 244.13297 158.8
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.