CID 43424726

N-(1-benzylpyrrolidin-3-yl)-2-chloropropanamide hydrochloride

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CC(C(=O)NC1CCN(C1)CC2=CC=CC=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c1-11(15)14(18)16-13-7-8-17(10-13)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,18)
InChIKey
ZHUYXQJPSVQHBT-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrrolidin-3-yl)-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 163.4
[M+Na]+ 289.10782 168.4
[M-H]- 265.11132 167.8
[M+NH4]+ 284.15242 180.5
[M+K]+ 305.08176 163.9
[M+H-H2O]+ 249.11586 155.9
[M+HCOO]- 311.11680 179.2
[M+CH3COO]- 325.13245 197.2
[M+Na-2H]- 287.09327 163.6
[M]+ 266.11805 162.0
[M]- 266.11915 162.0
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.