CID 210120

20984-71-8

Structural Information

Molecular Formula
C15H22ClN3O
SMILES
CCN(CC)C1CCN(C1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H22ClN3O/c1-3-18(4-2)14-8-9-19(11-14)15(20)17-13-7-5-6-12(16)10-13/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKey
MPBYLMWKAXRJSU-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14514 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15242 172.0
[M+Na]+ 318.13436 177.1
[M-H]- 294.13786 178.0
[M+NH4]+ 313.17896 188.7
[M+K]+ 334.10830 173.3
[M+H-H2O]+ 278.14240 163.9
[M+HCOO]- 340.14334 190.0
[M+CH3COO]- 354.15899 208.1
[M+Na-2H]- 316.11981 171.9
[M]+ 295.14459 172.5
[M]- 295.14569 172.5
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.