CID 5239334

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

Structural Information

Molecular Formula
C12H13ClN4O
SMILES
CC1=NN(C(=C1)C(=O)NN)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN4O/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
NVZRRRAETTVZMG-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0778 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08508 159.3
[M+Na]+ 287.06702 168.4
[M-H]- 263.07052 163.6
[M+NH4]+ 282.11162 175.3
[M+K]+ 303.04096 163.1
[M+H-H2O]+ 247.07506 151.2
[M+HCOO]- 309.07600 178.7
[M+CH3COO]- 323.09165 199.1
[M+Na-2H]- 285.05247 161.8
[M]+ 264.07725 160.3
[M]- 264.07835 160.3
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.