CID 64882

40478-42-0

Structural Information

Molecular Formula
C18H20ClNO
SMILES
CCC(C1=CC=CC=C1)NC(=O)CCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H20ClNO/c1-2-17(15-6-4-3-5-7-15)20-18(21)13-10-14-8-11-16(19)12-9-14/h3-9,11-12,17H,2,10,13H2,1H3,(H,20,21)
InChIKey
MYWSPTIVGNYTAW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-(1-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12335 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13063 172.3
[M+Na]+ 324.11257 186.3
[M+NH4]+ 319.15717 181.0
[M+K]+ 340.08651 177.2
[M-H]- 300.11607 177.4
[M+Na-2H]- 322.09802 181.2
[M]+ 301.12280 176.1
[M]- 301.12390 176.1
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.