CID 164120

5-cyano-n-methyl-1-(1-methylcyclopentyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C12H16N4O
SMILES
CC1(CCCC1)N2C(=C(C=N2)C(=O)NC)C#N
InChI
InChI=1S/C12H16N4O/c1-12(5-3-4-6-12)16-10(7-13)9(8-15-16)11(17)14-2/h8H,3-6H2,1-2H3,(H,14,17)
InChIKey
BFJQPNGTNDRMPP-UHFFFAOYSA-N
Compound name
5-cyano-N-methyl-1-(1-methylcyclopentyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.13242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 151.9
[M+Na]+ 255.12164 161.0
[M-H]- 231.12514 154.9
[M+NH4]+ 250.16624 169.8
[M+K]+ 271.09558 156.9
[M+H-H2O]+ 215.12968 137.3
[M+HCOO]- 277.13062 169.7
[M+CH3COO]- 291.14627 202.7
[M+Na-2H]- 253.10709 153.1
[M]+ 232.13187 145.2
[M]- 232.13297 145.2
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

patents stripe