CID 102733

Einecs 217-922-6

Structural Information

Molecular Formula
C18H14Cl2N4O3
SMILES
CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H14Cl2N4O3/c1-2-27-18(26)16-15(22-21-14-10-11(19)8-9-13(14)20)17(25)24(23-16)12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
InChIKey
WHQOVNOGONNMJB-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.04428 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.05156 193.0
[M+Na]+ 427.03350 202.8
[M-H]- 403.03700 202.6
[M+NH4]+ 422.07810 204.9
[M+K]+ 443.00744 197.0
[M+H-H2O]+ 387.04154 182.8
[M+HCOO]- 449.04248 209.1
[M+CH3COO]- 463.05813 227.0
[M+Na-2H]- 425.01895 193.4
[M]+ 404.04373 200.2
[M]- 404.04483 200.2
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.