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]+ 288.114976 167.2
[M+Na]+ 310.096918 173.1
[M-H]- 286.100424 173.2
[M+NH4]+ 305.141523 183.0
[M+K]+ 326.070858 167.5
[M+H-H2O]+ 270.104960 160.0
[M+HCOO]- 332.105901 185.4
[M+CH3COO]- 346.121551 202.9
[M+Na-2H]- 308.082366 170.3
[M]+ 287.10715142 168.7
[M]- 287.10824858 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.