CID 5056437

1-piperazinepropanamide, n-(4-ethoxyphenyl)-4-(2-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H26N4O2/c1-2-26-18-8-6-17(7-9-18)22-20(25)10-12-23-13-15-24(16-14-23)19-5-3-4-11-21-19/h3-9,11H,2,10,12-16H2,1H3,(H,22,25)
InChIKey
IRCSSIBGRNLMSY-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.20557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.212846 186.9
[M+Na]+ 377.194788 189.8
[M-H]- 353.198294 190.9
[M+NH4]+ 372.239393 194.2
[M+K]+ 393.168728 184.6
[M+H-H2O]+ 337.202830 174.3
[M+HCOO]- 399.203771 202.6
[M+CH3COO]- 413.219421 215.7
[M+Na-2H]- 375.180236 189.4
[M]+ 354.20502142 183.9
[M]- 354.20611858 183.9
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