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
1
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]+ 323.15025 175.0
[M+Na]+ 345.13219 183.2
[M-H]- 321.13569 185.4
[M+NH4]+ 340.17679 188.9
[M+K]+ 361.10613 179.3
[M+H-H2O]+ 305.14023 164.0
[M+HCOO]- 367.14117 201.9
[M+CH3COO]- 381.15682 216.8
[M+Na-2H]- 343.11764 178.8
[M]+ 322.14242 178.4
[M]- 322.14352 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.