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]+ 267.125876 163.4
[M+Na]+ 289.107818 168.4
[M-H]- 265.111324 167.8
[M+NH4]+ 284.152423 180.5
[M+K]+ 305.081758 163.9
[M+H-H2O]+ 249.115860 155.9
[M+HCOO]- 311.116801 179.2
[M+CH3COO]- 325.132451 197.2
[M+Na-2H]- 287.093266 163.6
[M]+ 266.11805142 162.0
[M]- 266.11914858 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.