CID 11971565

1-piperazinepropanamide, 4-(2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula
C12H18N4O
SMILES
C1CN(CCN1CCC(=O)N)C2=CC=CC=N2
InChI
InChI=1S/C12H18N4O/c13-11(17)4-6-15-7-9-16(10-8-15)12-3-1-2-5-14-12/h1-3,5H,4,6-10H2,(H2,13,17)
InChIKey
TWSOYAXFQJSRGO-UHFFFAOYSA-N
Compound name
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

234.14806 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 155.5
[M+Na]+ 257.13728 160.0
[M-H]- 233.14078 156.5
[M+NH4]+ 252.18188 168.0
[M+K]+ 273.11122 156.5
[M+H-H2O]+ 217.14532 145.5
[M+HCOO]- 279.14626 172.0
[M+CH3COO]- 293.16191 192.7
[M+Na-2H]- 255.12273 159.3
[M]+ 234.14751 149.9
[M]- 234.14861 149.9
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