CID 5333302

Brn 4262889

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
C1CCN(CC1)C(=O)C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C14H16ClN3O2/c15-12-7-3-2-6-11(12)10-16-17-13(19)14(20)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,19)/b16-10+
InChIKey
HJSHDAZYJCIYRX-MHWRWJLKSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0931 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10038 166.9
[M+Na]+ 316.08232 171.2
[M-H]- 292.08582 172.3
[M+NH4]+ 311.12692 181.2
[M+K]+ 332.05626 167.1
[M+H-H2O]+ 276.09036 158.5
[M+HCOO]- 338.09130 183.7
[M+CH3COO]- 352.10695 203.7
[M+Na-2H]- 314.06777 169.7
[M]+ 293.09255 164.4
[M]- 293.09365 164.4
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.