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]+ 297.136426 170.6
[M+Na]+ 319.118368 174.2
[M-H]- 295.121874 173.1
[M+NH4]+ 314.162973 185.2
[M+K]+ 335.092308 169.5
[M+H-H2O]+ 279.126410 163.3
[M+HCOO]- 341.127351 183.2
[M+CH3COO]- 355.143001 200.7
[M+Na-2H]- 317.103816 167.8
[M]+ 296.12860142 167.7
[M]- 296.12969858 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.