CID 3079181

Alpha-(2-(4-chlorophenyl)-2-hydroxyethyl)-1-pyrrolidinepropanamide hydrate (2:1)

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
C1CCN(C1)CC(CC(C2=CC=C(C=C2)Cl)O)C(=O)N
InChI
InChI=1S/C15H21ClN2O2/c16-13-5-3-11(4-6-13)14(19)9-12(15(17)20)10-18-7-1-2-8-18/h3-6,12,14,19H,1-2,7-10H2,(H2,17,20)
InChIKey
ZLLBBRDYTZVAEZ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 170.6
[M+Na]+ 319.11837 174.2
[M-H]- 295.12187 173.1
[M+NH4]+ 314.16297 185.2
[M+K]+ 335.09231 169.5
[M+H-H2O]+ 279.12641 163.3
[M+HCOO]- 341.12735 183.2
[M+CH3COO]- 355.14300 200.7
[M+Na-2H]- 317.10382 167.8
[M]+ 296.12860 167.7
[M]- 296.12970 167.7
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.