CID 508912

Benzamide, n-[(1r)-1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-2,2-dimethylpropyl]-3-ethoxy-

Structural Information

Molecular Formula
C28H38ClN3O3
SMILES
CCOC1=CC=CC(=C1)C(=O)N[C@@H](C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C
InChI
InChI=1S/C28H38ClN3O3/c1-5-35-24-8-6-7-22(17-24)26(33)31-25(28(2,3)4)27(34)30-18-20-13-15-32(16-14-20)19-21-9-11-23(29)12-10-21/h6-12,17,20,25H,5,13-16,18-19H2,1-4H3,(H,30,34)(H,31,33)/t25-/m0/s1
InChIKey
XBYADNUSKKTDPV-VWLOTQADSA-N
Compound name
N-[(2R)-1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.26016 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.26744 224.0
[M+Na]+ 522.24938 224.2
[M-H]- 498.25288 230.1
[M+NH4]+ 517.29398 229.0
[M+K]+ 538.22332 218.9
[M+H-H2O]+ 482.25742 213.5
[M+HCOO]- 544.25836 233.2
[M+CH3COO]- 558.27401 245.9
[M+Na-2H]- 520.23483 220.8
[M]+ 499.25961 224.2
[M]- 499.26071 224.2
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.