CID 630667

1914-78-9

Structural Information

Molecular Formula
C18H16N4O3
SMILES
CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N4O3/c1-2-25-18(24)16-15(20-19-13-9-5-3-6-10-13)17(23)22(21-16)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
OLKBWCZRGYXKJT-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12225 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.129526 176.9
[M+Na]+ 359.111468 183.9
[M-H]- 335.114974 187.0
[M+NH4]+ 354.156073 189.7
[M+K]+ 375.085408 180.7
[M+H-H2O]+ 319.119510 165.7
[M+HCOO]- 381.120451 203.1
[M+CH3COO]- 395.136101 217.2
[M+Na-2H]- 357.096916 180.4
[M]+ 336.12170142 179.8
[M]- 336.12279858 179.8
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.