CID 9645160

N'-(2-chlorobenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H12ClN5O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H12ClN5O3/c18-14-7-2-1-4-12(14)10-19-22-17(24)16-9-15(20-21-16)11-5-3-6-13(8-11)23(25)26/h1-10H,(H,20,21)(H,22,24)/b19-10+
InChIKey
VZQUFJFKKRBXAY-VXLYETTFSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.06287 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.07015 182.7
[M+Na]+ 392.05209 188.2
[M-H]- 368.05559 190.0
[M+NH4]+ 387.09669 192.4
[M+K]+ 408.02603 177.9
[M+H-H2O]+ 352.06013 177.0
[M+HCOO]- 414.06107 203.2
[M+CH3COO]- 428.07672 210.2
[M+Na-2H]- 390.03754 188.2
[M]+ 369.06232 181.6
[M]- 369.06342 181.6
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.