CID 508765

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

Structural Information

Molecular Formula
C22H25ClFN3O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)F)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25ClFN3O2/c23-19-6-4-17(5-7-19)15-27-10-8-16(9-11-27)13-25-21(28)14-26-22(29)18-2-1-3-20(24)12-18/h1-7,12,16H,8-11,13-15H2,(H,25,28)(H,26,29)
InChIKey
CWTUEWQIAHQYMR-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.16193 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16921 199.4
[M+Na]+ 440.15115 202.4
[M-H]- 416.15465 204.7
[M+NH4]+ 435.19575 207.7
[M+K]+ 456.12509 195.5
[M+H-H2O]+ 400.15919 188.2
[M+HCOO]- 462.16013 211.9
[M+CH3COO]- 476.17578 228.2
[M+Na-2H]- 438.13660 198.2
[M]+ 417.16138 196.1
[M]- 417.16248 196.1
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.