CID 4613655

1-(2,5-dichlorobenzyl)-3-methyl-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C12H12Cl2N4O
SMILES
CC1=NN(C(=C1)C(=O)NN)CC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H12Cl2N4O/c1-7-4-11(12(19)16-15)18(17-7)6-8-5-9(13)2-3-10(8)14/h2-5H,6,15H2,1H3,(H,16,19)
InChIKey
GLQHJVVKIHFQBC-UHFFFAOYSA-N
Compound name
2-[(2,5-dichlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04610 166.6
[M+Na]+ 321.02804 176.8
[M-H]- 297.03154 170.3
[M+NH4]+ 316.07264 181.8
[M+K]+ 337.00198 170.3
[M+H-H2O]+ 281.03608 159.1
[M+HCOO]- 343.03702 180.6
[M+CH3COO]- 357.05267 204.7
[M+Na-2H]- 319.01349 167.4
[M]+ 298.03827 168.9
[M]- 298.03937 168.9
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.