CID 759035

1-piperazineacetamide, n-(3-fluorophenyl)-4-(2-pyridinyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C17H19FN4O
SMILES
C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=N3
InChI
InChI=1S/C17H19FN4O/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)
InChIKey
UHSDTBNJNNJWAR-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

314.1543 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16158 174.2
[M+Na]+ 337.14352 178.7
[M-H]- 313.14702 177.4
[M+NH4]+ 332.18812 183.2
[M+K]+ 353.11746 173.0
[M+H-H2O]+ 297.15156 161.5
[M+HCOO]- 359.15250 189.8
[M+CH3COO]- 373.16815 182.4
[M+Na-2H]- 335.12897 177.6
[M]+ 314.15375 167.9
[M]- 314.15485 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.