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]+ 355.21285 186.9
[M+Na]+ 377.19479 189.8
[M-H]- 353.19829 190.9
[M+NH4]+ 372.23939 194.2
[M+K]+ 393.16873 184.6
[M+H-H2O]+ 337.20283 174.3
[M+HCOO]- 399.20377 202.6
[M+CH3COO]- 413.21942 215.7
[M+Na-2H]- 375.18024 189.4
[M]+ 354.20502 183.9
[M]- 354.20612 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