CID 6862303

N'-(2,4-dichlorobenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H11Cl2N5O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H11Cl2N5O3/c18-12-5-4-11(14(19)7-12)9-20-23-17(25)16-8-15(21-22-16)10-2-1-3-13(6-10)24(26)27/h1-9H,(H,21,22)(H,23,25)/b20-9+
InChIKey
WUUGJWTZGAQWEB-AWQFTUOYSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0239 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.03118 191.5
[M+Na]+ 426.01312 197.8
[M-H]- 402.01662 198.0
[M+NH4]+ 421.05772 200.5
[M+K]+ 441.98706 186.9
[M+H-H2O]+ 386.02116 186.4
[M+HCOO]- 448.02210 206.6
[M+CH3COO]- 462.03775 215.4
[M+Na-2H]- 423.99857 195.1
[M]+ 403.02335 192.2
[M]- 403.02445 192.2
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.