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]+ 253.165906 159.4
[M+Na]+ 275.147848 162.7
[M-H]- 251.151354 158.3
[M+NH4]+ 270.192453 171.8
[M+K]+ 291.121788 159.0
[M+H-H2O]+ 235.155890 150.0
[M+HCOO]- 297.156831 174.5
[M+CH3COO]- 311.172481 189.8
[M+Na-2H]- 273.133296 160.6
[M]+ 252.15808142 153.2
[M]- 252.15917858 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.