CID 3070738

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

Structural Information

Molecular Formula
C11H11Cl2N5O
SMILES
CC1=C(C(=NN1)C(=O)NNC2=C(C=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C11H11Cl2N5O/c1-5-9(14)10(17-15-5)11(19)18-16-8-4-6(12)2-3-7(8)13/h2-4,16H,14H2,1H3,(H,15,17)(H,18,19)
InChIKey
QMLMLYPSXQRZBW-UHFFFAOYSA-N
Compound name
4-amino-N'-(2,5-dichlorophenyl)-5-methyl-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04134 166.2
[M+Na]+ 322.02328 175.5
[M-H]- 298.02678 168.9
[M+NH4]+ 317.06788 180.4
[M+K]+ 337.99722 168.6
[M+H-H2O]+ 282.03132 159.0
[M+HCOO]- 344.03226 180.2
[M+CH3COO]- 358.04791 204.7
[M+Na-2H]- 320.00873 167.7
[M]+ 299.03351 165.9
[M]- 299.03461 165.9
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.