CID 508903

Benzamide, n-[2-[[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-[(trifluoromethyl)thio]-

Structural Information

Molecular Formula
C24H26F3N3O4S
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)SC(F)(F)F)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C24H26F3N3O4S/c25-24(26,27)35-19-3-1-2-18(11-19)23(32)29-13-22(31)28-12-16-6-8-30(9-7-16)14-17-4-5-20-21(10-17)34-15-33-20/h1-5,10-11,16H,6-9,12-15H2,(H,28,31)(H,29,32)
InChIKey
RXLNBPVEGHMEQY-UHFFFAOYSA-N
Compound name
N-[2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-3-(trifluoromethylsulfanyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.1596 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.16688 216.7
[M+Na]+ 532.14882 219.1
[M-H]- 508.15232 221.5
[M+NH4]+ 527.19342 221.1
[M+K]+ 548.12276 215.7
[M+H-H2O]+ 492.15686 205.5
[M+HCOO]- 554.15780 222.7
[M+CH3COO]- 568.17345 241.9
[M+Na-2H]- 530.13427 215.1
[M]+ 509.15905 214.0
[M]- 509.16015 214.0
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.