CID 3073419

148680-63-1

Structural Information

Molecular Formula
C23H23FN6O2
SMILES
COC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CN4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H23FN6O2/c1-32-20-8-2-17(3-9-20)21-14-22-23(31)30(25-15-29(22)26-21)16-27-10-12-28(13-11-27)19-6-4-18(24)5-7-19/h2-9,14-15H,10-13,16H2,1H3
InChIKey
QOTWGDLZNSBQTD-UHFFFAOYSA-N
Compound name
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.18665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.19393 208.1
[M+Na]+ 457.17587 217.5
[M-H]- 433.17937 212.9
[M+NH4]+ 452.22047 211.3
[M+K]+ 473.14981 208.2
[M+H-H2O]+ 417.18391 192.3
[M+HCOO]- 479.18485 219.9
[M+CH3COO]- 493.20050 214.7
[M+Na-2H]- 455.16132 207.9
[M]+ 434.18610 207.4
[M]- 434.18720 207.4
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.