CID 20844413

68213-91-2

Structural Information

Molecular Formula
C18H15N5O5
SMILES
CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C18H15N5O5/c1-2-28-18(25)16-15(17(24)22(21-16)12-8-4-3-5-9-12)20-19-13-10-6-7-11-14(13)23(26)27/h3-11,15H,2H2,1H3
InChIKey
WJILYNHHWNITTM-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.10733 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11461 184.7
[M+Na]+ 404.09655 196.8
[M+NH4]+ 399.14115 189.4
[M+K]+ 420.07049 195.7
[M-H]- 380.10005 190.3
[M+Na-2H]- 402.08200 192.3
[M]+ 381.10678 187.4
[M]- 381.10788 187.4
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.