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]+ 353.19718 185.8
[M+Na]+ 375.17912 197.8
[M+NH4]+ 370.22372 191.4
[M+K]+ 391.15306 191.0
[M-H]- 351.18262 189.8
[M+Na-2H]- 373.16457 193.5
[M]+ 352.18935 188.3
[M]- 352.19045 188.3
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.