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]+ 262.09932 158.6
[M+Na]+ 284.08126 165.6
[M-H]- 260.08476 164.0
[M+NH4]+ 279.12586 177.5
[M+K]+ 300.05520 161.8
[M+H-H2O]+ 244.08930 152.4
[M+HCOO]- 306.09024 176.4
[M+CH3COO]- 320.10589 202.2
[M+Na-2H]- 282.06671 162.8
[M]+ 261.09149 162.0
[M]- 261.09259 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.