CID 3070506

1-piperazinepropanamide, n-phenyl-4-(2-pyridinyl)-

Structural Information

Molecular Formula
C18H22N4O
SMILES
C1CN(CCN1CCC(=O)NC2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C18H22N4O/c23-18(20-16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2,(H,20,23)
InChIKey
BOVSCTXJYWTIMU-UHFFFAOYSA-N
Compound name
N-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

310.17935 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18663 175.8
[M+Na]+ 333.16857 188.8
[M+NH4]+ 328.21317 182.8
[M+K]+ 349.14251 180.9
[M-H]- 309.17207 180.8
[M+Na-2H]- 331.15402 185.1
[M]+ 310.17880 178.9
[M]- 310.17990 178.9
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

patents stripe