CID 3061962

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

Structural Information

Molecular Formula
C10H18N4O
SMILES
CC1=C(C(=NN1)C(=O)NCCC(C)C)N
InChI
InChI=1S/C10H18N4O/c1-6(2)4-5-12-10(15)9-8(11)7(3)13-14-9/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
MYBOSVWEIVQZFM-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 150.8
[M+Na]+ 233.13728 157.1
[M-H]- 209.14078 150.3
[M+NH4]+ 228.18188 167.5
[M+K]+ 249.11122 154.6
[M+H-H2O]+ 193.14532 143.2
[M+HCOO]- 255.14626 171.5
[M+CH3COO]- 269.16191 191.1
[M+Na-2H]- 231.12273 151.4
[M]+ 210.14751 148.5
[M]- 210.14861 148.5
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.