CID 508780

Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-2-methylpropyl]-4-(1-methylethoxy)-

Structural Information

Molecular Formula
C28H38ClN3O3
SMILES
CC(C)C(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)OC(C)C
InChI
InChI=1S/C28H38ClN3O3/c1-19(2)26(31-27(33)23-7-11-25(12-8-23)35-20(3)4)28(34)30-17-21-13-15-32(16-14-21)18-22-5-9-24(29)10-6-22/h5-12,19-21,26H,13-18H2,1-4H3,(H,30,34)(H,31,33)
InChIKey
JBGVAPRYRUPAMT-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.26016 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.26744 223.2
[M+Na]+ 522.24938 222.4
[M-H]- 498.25288 229.1
[M+NH4]+ 517.29398 227.9
[M+K]+ 538.22332 217.7
[M+H-H2O]+ 482.25742 212.7
[M+HCOO]- 544.25836 232.1
[M+CH3COO]- 558.27401 247.9
[M+Na-2H]- 520.23483 216.8
[M]+ 499.25961 222.9
[M]- 499.26071 222.9
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.