CID 508807

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

Structural Information

Molecular Formula
C23H25BrF3N3O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H25BrF3N3O2/c24-20-6-4-17(5-7-20)15-30-10-8-16(9-11-30)13-28-21(31)14-29-22(32)18-2-1-3-19(12-18)23(25,26)27/h1-7,12,16H,8-11,13-15H2,(H,28,31)(H,29,32)
InChIKey
LFGJPXFNSMXZDM-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.10822 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.11550 216.6
[M+Na]+ 534.09744 221.2
[M-H]- 510.10094 221.4
[M+NH4]+ 529.14204 224.1
[M+K]+ 550.07138 207.3
[M+H-H2O]+ 494.10548 209.5
[M+HCOO]- 556.10642 227.2
[M+CH3COO]- 570.12207 239.0
[M+Na-2H]- 532.08289 215.5
[M]+ 511.10767 227.1
[M]- 511.10877 227.1
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.