CID 54592691

3-amino-n-(3,5-dimethyl-1h-pyrazol-4-yl)-2-methylpropanamide dihydrochloride

Structural Information

Molecular Formula
C9H16N4O
SMILES
CC1=C(C(=NN1)C)NC(=O)C(C)CN
InChI
InChI=1S/C9H16N4O/c1-5(4-10)9(14)11-8-6(2)12-13-7(8)3/h5H,4,10H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
RMSZKQRQTBREEZ-UHFFFAOYSA-N
Compound name
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 146.3
[M+Na]+ 219.12164 153.1
[M-H]- 195.12514 146.0
[M+NH4]+ 214.16624 163.6
[M+K]+ 235.09558 150.8
[M+H-H2O]+ 179.12968 138.9
[M+HCOO]- 241.13062 167.3
[M+CH3COO]- 255.14627 188.1
[M+Na-2H]- 217.10709 147.5
[M]+ 196.13187 143.6
[M]- 196.13297 143.6
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.