CID 3021273

Piperazine, 1-(1-oxo-3-(1-piperidinyl)propyl)-4-(1-piperidinylacetyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H34N4O2
SMILES
C1CCN(CC1)CCC(=O)N2CCN(CC2)C(=O)CN3CCCCC3
InChI
InChI=1S/C19H34N4O2/c24-18(7-12-20-8-3-1-4-9-20)22-13-15-23(16-14-22)19(25)17-21-10-5-2-6-11-21/h1-17H2
InChIKey
ZIIMOCFMYWGWRQ-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2682 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27548 191.4
[M+Na]+ 373.25742 188.5
[M-H]- 349.26092 191.4
[M+NH4]+ 368.30202 196.8
[M+K]+ 389.23136 184.9
[M+H-H2O]+ 333.26546 178.2
[M+HCOO]- 395.26640 195.5
[M+CH3COO]- 409.28205 211.3
[M+Na-2H]- 371.24287 186.9
[M]+ 350.26765 179.0
[M]- 350.26875 179.0
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.