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]+ 266.08031 158.3
[M+Na]+ 288.06225 166.5
[M-H]- 264.06575 161.5
[M+NH4]+ 283.10685 173.2
[M+K]+ 304.03619 160.7
[M+H-H2O]+ 248.07029 150.3
[M+HCOO]- 310.07123 177.6
[M+CH3COO]- 324.08688 199.1
[M+Na-2H]- 286.04770 161.6
[M]+ 265.07248 156.5
[M]- 265.07358 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.