CID 3015593

31768-46-4

Structural Information

Molecular Formula
C19H17N5O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C19H17N5O4/c1-2-28-19(27)12-8-10-13(11-9-12)21-22-16-15(17(20)25)23-24(18(16)26)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3,(H2,20,25)
InChIKey
XCZDCNNCRLGUAL-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12805 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.135326 186.8
[M+Na]+ 402.117268 193.0
[M-H]- 378.120774 196.8
[M+NH4]+ 397.161873 197.1
[M+K]+ 418.091208 190.1
[M+H-H2O]+ 362.125310 175.5
[M+HCOO]- 424.126251 212.4
[M+CH3COO]- 438.141901 228.5
[M+Na-2H]- 400.102716 188.0
[M]+ 379.12750142 189.0
[M]- 379.12859858 189.0
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.