CID 64879

40478-37-3

Structural Information

Molecular Formula
C16H16ClNO
SMILES
C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO/c17-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,18,19)
InChIKey
XQPWJBKUZCRBKK-UHFFFAOYSA-N
Compound name
N-benzyl-3-(4-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09204 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 162.5
[M+Na]+ 296.08126 169.2
[M-H]- 272.08476 168.6
[M+NH4]+ 291.12586 179.0
[M+K]+ 312.05520 163.3
[M+H-H2O]+ 256.08930 155.4
[M+HCOO]- 318.09024 182.1
[M+CH3COO]- 332.10589 199.1
[M+Na-2H]- 294.06671 167.4
[M]+ 273.09149 164.2
[M]- 273.09259 164.2
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.