CID 5495874

Benzamide, n-[(1r)-2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-3,5-dimethoxy-

Structural Information

Molecular Formula
C25H32ClN3O4
SMILES
C[C@H](C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3)OC)OC
InChI
InChI=1S/C25H32ClN3O4/c1-17(28-25(31)20-12-22(32-2)14-23(13-20)33-3)24(30)27-15-18-8-10-29(11-9-18)16-19-4-6-21(26)7-5-19/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,27,30)(H,28,31)/t17-/m1/s1
InChIKey
UVSJLGKMVDALSK-QGZVFWFLSA-N
Compound name
N-[(2R)-1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.20813 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.21541 214.3
[M+Na]+ 496.19735 216.1
[M-H]- 472.20085 221.0
[M+NH4]+ 491.24195 220.4
[M+K]+ 512.17129 211.5
[M+H-H2O]+ 456.20539 203.7
[M+HCOO]- 518.20633 226.3
[M+CH3COO]- 532.22198 240.9
[M+Na-2H]- 494.18280 210.9
[M]+ 473.20758 215.8
[M]- 473.20868 215.8
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.