CID 11971561

N-(4-chlorophenyl)-4-(2-pyridinyl)-1-piperazinepropanamide dihydrochloride hydrate

Structural Information

Molecular Formula
C18H21ClN4O
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C18H21ClN4O/c19-15-4-6-16(7-5-15)21-18(24)8-10-22-11-13-23(14-12-22)17-3-1-2-9-20-17/h1-7,9H,8,10-14H2,(H,21,24)
InChIKey
REWVLGPCDZETBV-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14038 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14766 181.8
[M+Na]+ 367.12960 195.9
[M+NH4]+ 362.17420 189.0
[M+K]+ 383.10354 187.3
[M-H]- 343.13310 186.9
[M+Na-2H]- 365.11505 190.9
[M]+ 344.13983 185.4
[M]- 344.14093 185.4
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.