CID 11971543

N-(3-acetylphenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 185.9
[M+Na]+ 375.179118 188.8
[M-H]- 351.182624 190.1
[M+NH4]+ 370.223723 193.1
[M+K]+ 391.153058 183.7
[M+H-H2O]+ 335.187160 173.7
[M+HCOO]- 397.188101 200.9
[M+CH3COO]- 411.203751 215.9
[M+Na-2H]- 373.164566 187.4
[M]+ 352.18935142 181.7
[M]- 352.19044858 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

No patent data available for this compound.