CID 3073418

148680-62-0

Structural Information

Molecular Formula
C22H21FN6O
SMILES
C1CN(CCN1CN2C(=O)C3=CC(=NN3C=N2)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C22H21FN6O/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/h1-9,14-15H,10-13,16H2
InChIKey
SOUIHMOJVCWUSE-UHFFFAOYSA-N
Compound name
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1761 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18338 200.1
[M+Na]+ 427.16532 209.3
[M-H]- 403.16882 204.5
[M+NH4]+ 422.20992 204.3
[M+K]+ 443.13926 199.5
[M+H-H2O]+ 387.17336 184.3
[M+HCOO]- 449.17430 212.1
[M+CH3COO]- 463.18995 207.0
[M+Na-2H]- 425.15077 201.1
[M]+ 404.17555 197.4
[M]- 404.17665 197.4
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.