CID 210782

1-propanone, 3-(4-(p-fluorophenyl)-1-piperazinyl)-1-(5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C25H25FN6O
SMILES
CC1=C(C=NN1C2=NC3=CC=CC=C3N=C2)C(=O)CCN4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H25FN6O/c1-18-21(16-28-32(18)25-17-27-22-4-2-3-5-23(22)29-25)24(33)10-11-30-12-14-31(15-13-30)20-8-6-19(26)7-9-20/h2-9,16-17H,10-15H2,1H3
InChIKey
AUOBIAGKCFKWNU-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(5-methyl-1-quinoxalin-2-ylpyrazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.21468 211.2
[M+Na]+ 467.19662 218.7
[M-H]- 443.20012 215.3
[M+NH4]+ 462.24122 213.7
[M+K]+ 483.17056 208.9
[M+H-H2O]+ 427.20466 195.2
[M+HCOO]- 489.20560 221.3
[M+CH3COO]- 503.22125 216.8
[M+Na-2H]- 465.18207 210.0
[M]+ 444.20685 208.9
[M]- 444.20795 208.9
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.