CID 508878

2-amino-n-[2-[[1-[(4-cyanophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H26F3N5O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H26F3N5O2/c25-24(26,27)19-5-6-21(29)20(11-19)23(34)31-14-22(33)30-13-17-7-9-32(10-8-17)15-18-3-1-16(12-28)2-4-18/h1-6,11,17H,7-10,13-15,29H2,(H,30,33)(H,31,34)
InChIKey
TWEUXHNZSXBQNZ-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.20386 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.21114 214.0
[M+Na]+ 496.19308 217.9
[M-H]- 472.19658 214.3
[M+NH4]+ 491.23768 217.4
[M+K]+ 512.16702 210.9
[M+H-H2O]+ 456.20112 194.6
[M+HCOO]- 518.20206 223.7
[M+CH3COO]- 532.21771 248.8
[M+Na-2H]- 494.17853 210.4
[M]+ 473.20331 199.9
[M]- 473.20441 199.9
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.