CID 106253

Dtxsid60887076

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H18N4O2/c1-3-24-16-12-8-7-11-15(16)19-20-17-13(2)21-22(18(17)23)14-9-5-4-6-10-14/h4-12,17H,3H2,1-2H3
InChIKey
LOLWANDOFSMIGV-UHFFFAOYSA-N
Compound name
4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.150246 175.0
[M+Na]+ 345.132188 183.2
[M-H]- 321.135694 185.4
[M+NH4]+ 340.176793 188.9
[M+K]+ 361.106128 179.3
[M+H-H2O]+ 305.140230 164.0
[M+HCOO]- 367.141171 201.9
[M+CH3COO]- 381.156821 216.8
[M+Na-2H]- 343.117636 178.8
[M]+ 322.14242142 178.4
[M]- 322.14351858 178.4
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.