CID 459452

Akos024385407

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=NN(C(=O)C1C(C)(C)C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C23H24N4O2/c1-15-19(21(28)26(24-15)17-11-7-5-8-12-17)23(3,4)20-16(2)25-27(22(20)29)18-13-9-6-10-14-18/h5-14,19-20H,1-4H3
InChIKey
YDMZXGPBPJQQPH-UHFFFAOYSA-N
Compound name
5-methyl-4-[2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propan-2-yl]-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.1899 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 196.5
[M+Na]+ 411.17912 205.3
[M-H]- 387.18262 205.5
[M+NH4]+ 406.22372 206.0
[M+K]+ 427.15306 199.0
[M+H-H2O]+ 371.18716 185.7
[M+HCOO]- 433.18810 212.7
[M+CH3COO]- 447.20375 206.0
[M+Na-2H]- 409.16457 193.1
[M]+ 388.18935 197.5
[M]- 388.19045 197.5
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.