CID 508769

3-chloro-n-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C23H27Cl2N3O2
SMILES
CC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H27Cl2N3O2/c1-16(27-23(30)19-3-2-4-21(25)13-19)22(29)26-14-17-9-11-28(12-10-17)15-18-5-7-20(24)8-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,26,29)(H,27,30)
InChIKey
MKLFWJUETOQOTP-UHFFFAOYSA-N
Compound name
3-chloro-N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.14804 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15532 205.8
[M+Na]+ 470.13726 208.5
[M-H]- 446.14076 211.7
[M+NH4]+ 465.18186 213.5
[M+K]+ 486.11120 201.5
[M+H-H2O]+ 430.14530 196.4
[M+HCOO]- 492.14624 213.2
[M+CH3COO]- 506.16189 233.1
[M+Na-2H]- 468.12271 203.1
[M]+ 447.14749 205.1
[M]- 447.14859 205.1
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.