CID 108554

61550-72-9

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H18N4O3/c1-12-17(18(23)22(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(24-2)11-16(15)25-3/h4-11,17H,1-3H3
InChIKey
BDPUFQZQVPHSCM-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.13788 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 179.9
[M+Na]+ 361.12710 193.5
[M+NH4]+ 356.17170 186.3
[M+K]+ 377.10104 188.1
[M-H]- 337.13060 185.7
[M+Na-2H]- 359.11255 188.8
[M]+ 338.13733 183.3
[M]- 338.13843 183.3
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.