CID 3073417

148680-61-9

Structural Information

Molecular Formula
C23H21F3N6O
SMILES
C1CN(CCN1CN2C(=O)C3=CC(=NN3C=N2)C4=CC=CC=C4)C5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C23H21F3N6O/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/h1-8,13-15H,9-12,16H2
InChIKey
PXIACYJUACMMCS-UHFFFAOYSA-N
Compound name
2-phenyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.18016 212.1
[M+Na]+ 477.16210 221.4
[M-H]- 453.16560 214.2
[M+NH4]+ 472.20670 214.4
[M+K]+ 493.13604 210.9
[M+H-H2O]+ 437.17014 195.0
[M+HCOO]- 499.17108 220.0
[M+CH3COO]- 513.18673 217.5
[M+Na-2H]- 475.14755 212.4
[M]+ 454.17233 207.3
[M]- 454.17343 207.3
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.