CID 508756

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

Structural Information

Molecular Formula
C24H30ClN3O3
SMILES
CCOC1=CC=CC(=C1)C(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H30ClN3O3/c1-2-31-22-5-3-4-20(14-22)24(30)27-16-23(29)26-15-18-10-12-28(13-11-18)17-19-6-8-21(25)9-7-19/h3-9,14,18H,2,10-13,15-17H2,1H3,(H,26,29)(H,27,30)
InChIKey
BCVNBXLGUHINCP-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.19757 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.20485 207.7
[M+Na]+ 466.18679 209.5
[M-H]- 442.19029 214.0
[M+NH4]+ 461.23139 214.9
[M+K]+ 482.16073 203.6
[M+H-H2O]+ 426.19483 196.9
[M+HCOO]- 488.19577 220.8
[M+CH3COO]- 502.21142 233.6
[M+Na-2H]- 464.17224 206.3
[M]+ 443.19702 207.5
[M]- 443.19812 207.5
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.