CID 3073407

148680-51-7

Structural Information

Molecular Formula
C23H23F3N6O
SMILES
C1CN(CCN1CN2C(=O)C3CC(=NN3C=N2)C4=CC=CC=C4)C5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C23H23F3N6O/c24-23(25,26)18-7-4-8-19(13-18)30-11-9-29(10-12-30)16-32-22(33)21-14-20(28-31(21)15-27-32)17-5-2-1-3-6-17/h1-8,13,15,21H,9-12,14,16H2
InChIKey
JMDHRAXJPCIDAJ-UHFFFAOYSA-N
Compound name
2-phenyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.19582 206.8
[M+Na]+ 479.17776 217.1
[M+NH4]+ 474.22236 209.8
[M+K]+ 495.15170 212.6
[M-H]- 455.18126 206.4
[M+Na-2H]- 477.16321 211.5
[M]+ 456.18799 207.8
[M]- 456.18909 207.8
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.