CID 28742812

1-methyl-n-(piperidin-4-ylmethyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C11H18N4O
SMILES
CN1C=C(C=N1)C(=O)NCC2CCNCC2
InChI
InChI=1S/C11H18N4O/c1-15-8-10(7-14-15)11(16)13-6-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,13,16)
InChIKey
DDYKDAWXYOWGKF-UHFFFAOYSA-N
Compound name
1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 152.4
[M+Na]+ 245.13728 156.8
[M-H]- 221.14078 152.9
[M+NH4]+ 240.18188 166.9
[M+K]+ 261.11122 153.6
[M+H-H2O]+ 205.14532 143.1
[M+HCOO]- 267.14626 169.2
[M+CH3COO]- 281.16191 187.0
[M+Na-2H]- 243.12273 154.5
[M]+ 222.14751 146.3
[M]- 222.14861 146.3
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.