CID 3073409

148680-53-9

Structural Information

Molecular Formula
C24H25F3N6O
SMILES
CC1=NN(C(=O)C2N1N=C(C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C24H25F3N6O/c1-17-28-32(23(34)22-15-21(29-33(17)22)18-6-3-2-4-7-18)16-30-10-12-31(13-11-30)20-9-5-8-19(14-20)24(25,26)27/h2-9,14,22H,10-13,15-16H2,1H3
InChIKey
BNHPHZMGYPIKPW-UHFFFAOYSA-N
Compound name
7-methyl-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

470.2042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.21148 212.3
[M+Na]+ 493.19342 222.7
[M+NH4]+ 488.23802 215.1
[M+K]+ 509.16736 218.1
[M-H]- 469.19692 212.0
[M+Na-2H]- 491.17887 216.4
[M]+ 470.20365 213.3
[M]- 470.20475 213.3
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.