CID 3073411

148680-55-1

Structural Information

Molecular Formula
C23H25FN6O2
SMILES
COC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3C2)CN4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H25FN6O2/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/h2-9,15,22H,10-14,16H2,1H3
InChIKey
RQYNRUWEARTNBI-UHFFFAOYSA-N
Compound name
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-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

436.2023 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20958 209.5
[M+Na]+ 459.19152 223.2
[M+NH4]+ 454.23612 214.1
[M+K]+ 475.16546 217.4
[M-H]- 435.19502 212.7
[M+Na-2H]- 457.17697 215.4
[M]+ 436.20175 212.1
[M]- 436.20285 212.1
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.