CID 86812391

N-(2-methoxyethyl)-3-(piperidin-3-yl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C12H20N4O2
SMILES
COCCNC(=O)C1=C(NN=C1)C2CCCNC2
InChI
InChI=1S/C12H20N4O2/c1-18-6-5-14-12(17)10-8-15-16-11(10)9-3-2-4-13-7-9/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKey
XXXZWRSNUYGTSW-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 159.4
[M+Na]+ 275.14785 162.7
[M-H]- 251.15135 158.3
[M+NH4]+ 270.19245 171.8
[M+K]+ 291.12179 159.0
[M+H-H2O]+ 235.15589 150.0
[M+HCOO]- 297.15683 174.5
[M+CH3COO]- 311.17248 189.8
[M+Na-2H]- 273.13330 160.6
[M]+ 252.15808 153.2
[M]- 252.15918 153.2
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

No patent data available for this compound.