CID 13118146

1-piperazinepropanamide, n-(4-acetylphenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H24N4O2/c1-16(25)17-5-7-18(8-6-17)22-20(26)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10H,9,11-15H2,1H3,(H,22,26)
InChIKey
CLBIUVNHTUULKQ-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.1899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 185.9
[M+Na]+ 375.17912 188.8
[M-H]- 351.18262 190.1
[M+NH4]+ 370.22372 193.1
[M+K]+ 391.15306 183.7
[M+H-H2O]+ 335.18716 173.7
[M+HCOO]- 397.18810 200.9
[M+CH3COO]- 411.20375 215.9
[M+Na-2H]- 373.16457 187.4
[M]+ 352.18935 181.7
[M]- 352.19045 181.7
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

patents stripe