CID 43132162

2-chloro-n-[1-(naphthalen-1-yl)ethyl]propanamide

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(C)Cl
InChI
InChI=1S/C15H16ClNO/c1-10(16)15(18)17-11(2)13-9-5-7-12-6-3-4-8-14(12)13/h3-11H,1-2H3,(H,17,18)
InChIKey
KWYHBUOQIJXTJV-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-naphthalen-1-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09204 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 158.6
[M+Na]+ 284.08126 165.3
[M-H]- 260.08476 162.7
[M+NH4]+ 279.12586 176.9
[M+K]+ 300.05520 160.6
[M+H-H2O]+ 244.08930 152.9
[M+HCOO]- 306.09024 175.0
[M+CH3COO]- 320.10589 199.6
[M+Na-2H]- 282.06671 162.4
[M]+ 261.09149 160.2
[M]- 261.09259 160.2
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.