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]+ 211.155336 150.8
[M+Na]+ 233.137278 157.1
[M-H]- 209.140784 150.3
[M+NH4]+ 228.181883 167.5
[M+K]+ 249.111218 154.6
[M+H-H2O]+ 193.145320 143.2
[M+HCOO]- 255.146261 171.5
[M+CH3COO]- 269.161911 191.1
[M+Na-2H]- 231.122726 151.4
[M]+ 210.14751142 148.5
[M]- 210.14860858 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.