CID 3070737

1h-pyrazole-3-carboxylic acid, 4-amino-5-methyl-, 2-(4-chlorophenyl)hydrazide

Structural Information

Molecular Formula
C11H12ClN5O
SMILES
CC1=C(C(=NN1)C(=O)NNC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H12ClN5O/c1-6-9(13)10(16-14-6)11(18)17-15-8-4-2-7(12)3-5-8/h2-5,15H,13H2,1H3,(H,14,16)(H,17,18)
InChIKey
ZPPFHGRHTVLJAC-UHFFFAOYSA-N
Compound name
4-amino-N'-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07303 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.080306 158.3
[M+Na]+ 288.062248 166.5
[M-H]- 264.065754 161.5
[M+NH4]+ 283.106853 173.2
[M+K]+ 304.036188 160.7
[M+H-H2O]+ 248.070290 150.3
[M+HCOO]- 310.071231 177.6
[M+CH3COO]- 324.086881 199.1
[M+Na-2H]- 286.047696 161.6
[M]+ 265.07248142 156.5
[M]- 265.07357858 156.5
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.