CID 508900

Benzamide, n-[2-[[[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-[(trifluoromethyl)thio]-

Structural Information

Molecular Formula
C24H28F3N3O3S
SMILES
COC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=CC(=CC=C3)SC(F)(F)F
InChI
InChI=1S/C24H28F3N3O3S/c1-33-20-7-5-18(6-8-20)16-30-11-9-17(10-12-30)14-28-22(31)15-29-23(32)19-3-2-4-21(13-19)34-24(25,26)27/h2-8,13,17H,9-12,14-16H2,1H3,(H,28,31)(H,29,32)
InChIKey
PAODROILNIWUOU-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-(trifluoromethylsulfanyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.18036 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.18764 214.4
[M+Na]+ 518.16958 215.9
[M-H]- 494.17308 216.5
[M+NH4]+ 513.21418 219.0
[M+K]+ 534.14352 209.7
[M+H-H2O]+ 478.17762 201.1
[M+HCOO]- 540.17856 222.2
[M+CH3COO]- 554.19421 241.1
[M+Na-2H]- 516.15503 211.6
[M]+ 495.17981 210.3
[M]- 495.18091 210.3
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.