CID 508983

Benzamide, n-[(1s)-2-[[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-4-methyl-

Structural Information

Molecular Formula
C24H29Cl2N3O2
SMILES
CC1=CC=C(C=C1)C(=O)N[C@@H](C)C(=O)NCC2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H29Cl2N3O2/c1-16-3-6-20(7-4-16)24(31)28-17(2)23(30)27-14-18-9-11-29(12-10-18)15-19-5-8-21(25)22(26)13-19/h3-8,13,17-18H,9-12,14-15H2,1-2H3,(H,27,30)(H,28,31)/t17-/m0/s1
InChIKey
BGILSXLRZQTOCN-KRWDZBQOSA-N
Compound name
N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.1637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.17098 210.6
[M+Na]+ 484.15292 213.8
[M-H]- 460.15642 216.7
[M+NH4]+ 479.19752 218.1
[M+K]+ 500.12686 206.7
[M+H-H2O]+ 444.16096 201.3
[M+HCOO]- 506.16190 217.7
[M+CH3COO]- 520.17755 237.2
[M+Na-2H]- 482.13837 206.6
[M]+ 461.16315 210.6
[M]- 461.16425 210.6
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.