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 154.0
[M+Na]+ 271.09657 162.5
[M-H]- 247.10007 157.2
[M+NH4]+ 266.14117 169.8
[M+K]+ 287.07051 158.5
[M+H-H2O]+ 231.10461 144.5
[M+HCOO]- 293.10555 177.1
[M+CH3COO]- 307.12120 198.1
[M+Na-2H]- 269.08202 156.7
[M]+ 248.10680 152.0
[M]- 248.10790 152.0
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.