CID 13118145

1-piperazinepropanamide, n-(4-((1-oxopropyl)amino)phenyl)-4-(2-pyridinyl)-, hydrochloride, hydrate (1:2:1)

Structural Information

Molecular Formula
C21H27N5O2
SMILES
CCC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H27N5O2/c1-2-20(27)23-17-6-8-18(9-7-17)24-21(28)10-12-25-13-15-26(16-14-25)19-5-3-4-11-22-19/h3-9,11H,2,10,12-16H2,1H3,(H,23,27)(H,24,28)
InChIKey
CXUHSCLMHARXGE-UHFFFAOYSA-N
Compound name
N-[4-(propanoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.21646 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22374 193.4
[M+Na]+ 404.20568 203.9
[M+NH4]+ 399.25028 198.3
[M+K]+ 420.17962 197.4
[M-H]- 380.20918 197.6
[M+Na-2H]- 402.19113 200.5
[M]+ 381.21591 195.6
[M]- 381.21701 195.6
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.