CID 5747250

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

Structural Information

Molecular Formula
C11H9Cl2N5O3
SMILES
CC1=C(C(=NN1)C(=O)NNC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H9Cl2N5O3/c1-5-10(18(20)21)9(16-14-5)11(19)17-15-8-3-2-6(12)4-7(8)13/h2-4,15H,1H3,(H,14,16)(H,17,19)
InChIKey
NIPNJYXFPJGECZ-UHFFFAOYSA-N
Compound name
N'-(2,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.00824 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01552 169.6
[M+Na]+ 351.99746 176.9
[M-H]- 328.00096 172.3
[M+NH4]+ 347.04206 181.6
[M+K]+ 367.97140 167.3
[M+H-H2O]+ 312.00550 167.0
[M+HCOO]- 374.00644 184.0
[M+CH3COO]- 388.02209 200.8
[M+Na-2H]- 349.98291 173.6
[M]+ 329.00769 169.3
[M]- 329.00879 169.3
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.