CID 508814

Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-3-methylbutyl]-3-ethyl-

Structural Information

Molecular Formula
C28H38ClN3O2
SMILES
CCC1=CC(=CC=C1)C(=O)NC(CC(C)C)C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C28H38ClN3O2/c1-4-21-6-5-7-24(17-21)27(33)31-26(16-20(2)3)28(34)30-18-22-12-14-32(15-13-22)19-23-8-10-25(29)11-9-23/h5-11,17,20,22,26H,4,12-16,18-19H2,1-3H3,(H,30,34)(H,31,33)
InChIKey
DYOZAERKTDXKMW-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-4-methyl-1-oxopentan-2-yl]-3-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.26526 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.27254 221.8
[M+Na]+ 506.25448 221.5
[M-H]- 482.25798 227.5
[M+NH4]+ 501.29908 227.3
[M+K]+ 522.22842 215.2
[M+H-H2O]+ 466.26252 211.0
[M+HCOO]- 528.26346 231.4
[M+CH3COO]- 542.27911 244.8
[M+Na-2H]- 504.23993 216.1
[M]+ 483.26471 220.5
[M]- 483.26581 220.5
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.