CID 3073412

148680-56-2

Structural Information

Molecular Formula
C23H22ClF3N6O
SMILES
C1CN(CCN1CN2C(=O)C3CC(=NN3C=N2)C4=CC=C(C=C4)Cl)C5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C23H22ClF3N6O/c24-18-6-4-16(5-7-18)20-13-21-22(34)33(28-14-32(21)29-20)15-30-8-10-31(11-9-30)19-3-1-2-17(12-19)23(25,26)27/h1-7,12,14,21H,8-11,13,15H2
InChIKey
WVHUCHMLLJWOEQ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-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

490.14957 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15685 212.5
[M+Na]+ 513.13879 223.7
[M+NH4]+ 508.18339 215.7
[M+K]+ 529.11273 218.6
[M-H]- 489.14229 212.2
[M+Na-2H]- 511.12424 216.9
[M]+ 490.14902 213.9
[M]- 490.15012 213.9
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.