CID 3088681

4-(3-hydroxypropyl)-n-phenyl-1-piperazineacetamide dihydrochloride

Structural Information

Molecular Formula
C15H23N3O2
SMILES
C1CN(C(CN1CC(=O)N)CCCO)C2=CC=CC=C2
InChI
InChI=1S/C15H23N3O2/c16-15(20)12-17-8-9-18(13-5-2-1-3-6-13)14(11-17)7-4-10-19/h1-3,5-6,14,19H,4,7-12H2,(H2,16,20)
InChIKey
HJOHXLMBAJIEJI-UHFFFAOYSA-N
Compound name
2-[3-(3-hydroxypropyl)-4-phenylpiperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 167.6
[M+Na]+ 300.168238 171.1
[M-H]- 276.171744 168.5
[M+NH4]+ 295.212843 179.3
[M+K]+ 316.142178 167.0
[M+H-H2O]+ 260.176280 158.3
[M+HCOO]- 322.177221 183.2
[M+CH3COO]- 336.192871 199.7
[M+Na-2H]- 298.153686 168.6
[M]+ 277.17847142 162.5
[M]- 277.17956858 162.5
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.