CID 4166966

1-(4-fluorobenzyl)-3-methyl-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C12H13FN4O
SMILES
CC1=NN(C(=C1)C(=O)NN)CC2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FN4O/c1-8-6-11(12(18)15-14)17(16-8)7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,18)
InChIKey
LWNRKNTZCZOMON-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11463 154.6
[M+Na]+ 271.09657 164.8
[M+NH4]+ 266.14117 160.6
[M+K]+ 287.07051 161.5
[M-H]- 247.10007 156.0
[M+Na-2H]- 269.08202 160.5
[M]+ 248.10680 156.0
[M]- 248.10790 156.0
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.