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
2
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]+ 351.14516 181.8
[M+Na]+ 373.12710 189.3
[M-H]- 349.13060 192.2
[M+NH4]+ 368.17170 194.4
[M+K]+ 389.10104 185.9
[M+H-H2O]+ 333.13514 170.7
[M+HCOO]- 395.13608 207.7
[M+CH3COO]- 409.15173 221.4
[M+Na-2H]- 371.11255 184.1
[M]+ 350.13733 185.5
[M]- 350.13843 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.