CID 508792

Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-(hydroxymethyl)-2-oxoethyl]-3-methoxy-

Structural Information

Molecular Formula
C24H30ClN3O4
SMILES
COC1=CC=CC(=C1)C(=O)NC(CO)C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H30ClN3O4/c1-32-21-4-2-3-19(13-21)23(30)27-22(16-29)24(31)26-14-17-9-11-28(12-10-17)15-18-5-7-20(25)8-6-18/h2-8,13,17,22,29H,9-12,14-16H2,1H3,(H,26,31)(H,27,30)
InChIKey
MLPGFFDLWMCQCA-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.19247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.19975 208.8
[M+Na]+ 482.18169 209.7
[M-H]- 458.18519 214.0
[M+NH4]+ 477.22629 214.5
[M+K]+ 498.15563 204.5
[M+H-H2O]+ 442.18973 198.6
[M+HCOO]- 504.19067 219.7
[M+CH3COO]- 518.20632 234.6
[M+Na-2H]- 480.16714 206.3
[M]+ 459.19192 207.8
[M]- 459.19302 207.8
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.