CID 60706924

4-chloro-n-[3-(pyrrolidin-1-yl)propyl]pyridine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C13H18ClN3O
SMILES
C1CCN(C1)CCCNC(=O)C2=NC=CC(=C2)Cl
InChI
InChI=1S/C13H18ClN3O/c14-11-4-6-15-12(10-11)13(18)16-5-3-9-17-7-1-2-8-17/h4,6,10H,1-3,5,7-9H2,(H,16,18)
InChIKey
IQWBGXUKXXCOEE-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.11383 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12111 162.1
[M+Na]+ 290.10305 167.7
[M-H]- 266.10655 165.1
[M+NH4]+ 285.14765 177.8
[M+K]+ 306.07699 163.0
[M+H-H2O]+ 250.11109 153.3
[M+HCOO]- 312.11203 177.8
[M+CH3COO]- 326.12768 196.0
[M+Na-2H]- 288.08850 164.0
[M]+ 267.11328 161.4
[M]- 267.11438 161.4
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.