CID 6872295

3-ethyl-4-methyl-n'-(4-pyridinylmethylene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C13H15N5O
SMILES
CCC1=C(C(=NN1)C(=O)N/N=C/C2=CC=NC=C2)C
InChI
InChI=1S/C13H15N5O/c1-3-11-9(2)12(17-16-11)13(19)18-15-8-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,16,17)(H,18,19)/b15-8+
InChIKey
COIKXASBPIEPOY-OVCLIPMQSA-N
Compound name
5-ethyl-4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

257.12766 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 159.2
[M+Na]+ 280.11688 166.7
[M-H]- 256.12038 162.5
[M+NH4]+ 275.16148 173.3
[M+K]+ 296.09082 162.4
[M+H-H2O]+ 240.12492 149.4
[M+HCOO]- 302.12586 182.5
[M+CH3COO]- 316.14151 199.2
[M+Na-2H]- 278.10233 163.8
[M]+ 257.12711 158.9
[M]- 257.12821 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.