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]+ 197.139696 146.3
[M+Na]+ 219.121638 153.1
[M-H]- 195.125144 146.0
[M+NH4]+ 214.166243 163.6
[M+K]+ 235.095578 150.8
[M+H-H2O]+ 179.129680 138.9
[M+HCOO]- 241.130621 167.3
[M+CH3COO]- 255.146271 188.1
[M+Na-2H]- 217.107086 147.5
[M]+ 196.13187142 143.6
[M]- 196.13296858 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.