CID 64881

40478-41-9

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CC(C1=CC=CC=C1)NC(=O)CCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO/c1-13(15-5-3-2-4-6-15)19-17(20)12-9-14-7-10-16(18)11-8-14/h2-8,10-11,13H,9,12H2,1H3,(H,19,20)
InChIKey
VRWRXGZTVHDKBB-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-(1-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 167.2
[M+Na]+ 310.09692 173.1
[M-H]- 286.10042 173.2
[M+NH4]+ 305.14152 183.0
[M+K]+ 326.07086 167.5
[M+H-H2O]+ 270.10496 160.0
[M+HCOO]- 332.10590 185.4
[M+CH3COO]- 346.12155 202.9
[M+Na-2H]- 308.08237 170.3
[M]+ 287.10715 168.7
[M]- 287.10825 168.7
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.