CID 28148

Dtxsid20884945

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C19H18N4O3/c1-3-26-19(25)14-9-11-15(12-10-14)20-21-17-13(2)22-23(18(17)24)16-7-5-4-6-8-16/h4-12,17H,3H2,1-2H3
InChIKey
JBMWOJWZSMCBJJ-UHFFFAOYSA-N
Compound name
ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.145156 181.8
[M+Na]+ 373.127098 189.3
[M-H]- 349.130604 192.2
[M+NH4]+ 368.171703 194.4
[M+K]+ 389.101038 185.9
[M+H-H2O]+ 333.135140 170.7
[M+HCOO]- 395.136081 207.7
[M+CH3COO]- 409.151731 221.4
[M+Na-2H]- 371.112546 184.1
[M]+ 350.13733142 185.5
[M]- 350.13842858 185.5
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.