CID 9588009

5-((1-methyl-2-piperidylidene)amino)pyrazole-4-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CCOC(=O)C1=C(NN=C1)/N=C/2\CCCCN2C
InChI
InChI=1S/C12H18N4O2/c1-3-18-12(17)9-8-13-15-11(9)14-10-6-4-5-7-16(10)2/h8H,3-7H2,1-2H3,(H,13,15)/b14-10+
InChIKey
CLZVFVWMGKRTHS-GXDHUFHOSA-N
Compound name
ethyl 5-[(E)-(1-methylpiperidin-2-ylidene)amino]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14297 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 158.7
[M+Na]+ 273.13219 164.2
[M-H]- 249.13569 160.9
[M+NH4]+ 268.17679 173.0
[M+K]+ 289.10613 161.6
[M+H-H2O]+ 233.14023 149.2
[M+HCOO]- 295.14117 177.1
[M+CH3COO]- 309.15682 194.3
[M+Na-2H]- 271.11764 160.1
[M]+ 250.14242 155.8
[M]- 250.14352 155.8
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.