CID 3058862

Beta-((4-chlorophenyl)imino)-1-piperidinepropanamide

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
C1CCN(CC1)C(=NC2=CC=C(C=C2)Cl)CC(=O)N
InChI
InChI=1S/C14H18ClN3O/c15-11-4-6-12(7-5-11)17-14(10-13(16)19)18-8-2-1-3-9-18/h4-7H,1-3,8-10H2,(H2,16,19)
InChIKey
LOCVAXNNGHADHG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)imino-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 165.2
[M+Na]+ 302.10305 169.2
[M-H]- 278.10655 170.0
[M+NH4]+ 297.14765 179.8
[M+K]+ 318.07699 164.8
[M+H-H2O]+ 262.11109 156.9
[M+HCOO]- 324.11203 180.9
[M+CH3COO]- 338.12768 203.1
[M+Na-2H]- 300.08850 166.9
[M]+ 279.11328 161.2
[M]- 279.11438 161.2
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.