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]+ 278.18630 167.6
[M+Na]+ 300.16824 171.1
[M-H]- 276.17174 168.5
[M+NH4]+ 295.21284 179.3
[M+K]+ 316.14218 167.0
[M+H-H2O]+ 260.17628 158.3
[M+HCOO]- 322.17722 183.2
[M+CH3COO]- 336.19287 199.7
[M+Na-2H]- 298.15369 168.6
[M]+ 277.17847 162.5
[M]- 277.17957 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.