CID 978664

2-(4-chloro-2-methylphenoxy)-n-(4-piperidylphenyl)acetamide

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3
InChI
InChI=1S/C20H23ClN2O2/c1-15-13-16(21)5-10-19(15)25-14-20(24)22-17-6-8-18(9-7-17)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKey
RSBVBGXAURKYAQ-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1448 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15208 185.5
[M+Na]+ 381.13402 190.2
[M-H]- 357.13752 192.5
[M+NH4]+ 376.17862 196.8
[M+K]+ 397.10796 184.1
[M+H-H2O]+ 341.14206 175.6
[M+HCOO]- 403.14300 199.5
[M+CH3COO]- 417.15865 215.0
[M+Na-2H]- 379.11947 186.4
[M]+ 358.14425 184.4
[M]- 358.14535 184.4
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.