CID 3073408

148680-52-8

Structural Information

Molecular Formula
C22H23FN6O
SMILES
C1CN(CCN1CN2C(=O)C3CC(=NN3C=N2)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H23FN6O/c23-18-6-8-19(9-7-18)27-12-10-26(11-13-27)16-29-22(30)21-14-20(25-28(21)15-24-29)17-4-2-1-3-5-17/h1-9,15,21H,10-14,16H2
InChIKey
UJQXNOIOZGMQFW-UHFFFAOYSA-N
Compound name
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-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

406.19174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19902 202.6
[M+Na]+ 429.18096 208.9
[M-H]- 405.18446 205.8
[M+NH4]+ 424.22556 206.4
[M+K]+ 445.15490 199.8
[M+H-H2O]+ 389.18900 186.5
[M+HCOO]- 451.18994 210.6
[M+CH3COO]- 465.20559 208.0
[M+Na-2H]- 427.16641 200.5
[M]+ 406.19119 195.8
[M]- 406.19229 195.8
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.