CID 4831809

101111-62-0

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CCN(C1=CC=CC2=CC=CC=C21)C(=O)C(C)Cl
InChI
InChI=1S/C15H16ClNO/c1-3-17(15(18)11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3
InChIKey
NOUGICWSFQMDBX-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09204 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.099316 158.6
[M+Na]+ 284.081258 165.6
[M-H]- 260.084764 164.0
[M+NH4]+ 279.125863 177.5
[M+K]+ 300.055198 161.8
[M+H-H2O]+ 244.089300 152.4
[M+HCOO]- 306.090241 176.4
[M+CH3COO]- 320.105891 202.2
[M+Na-2H]- 282.066706 162.8
[M]+ 261.09149142 162.0
[M]- 261.09258858 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.