CID 508868

2-amino-n-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]-4-piperidyl]methylamino]ethyl]-5-(trifluoromethoxy)benzamide

Structural Information

Molecular Formula
C30H32F3N5O4
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)OC(F)(F)F)N)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C30H32F3N5O4/c31-30(32,33)42-24-10-11-26(34)25(16-24)29(41)36-18-27(39)35-17-20-12-14-38(15-13-20)19-21-6-8-22(9-7-21)28(40)37-23-4-2-1-3-5-23/h1-11,16,20H,12-15,17-19,34H2,(H,35,39)(H,36,41)(H,37,40)
InChIKey
HIAWYSHEISXRTC-UHFFFAOYSA-N
Compound name
2-amino-N-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-4-yl]methylamino]ethyl]-5-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.24066 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.24794 234.2
[M+Na]+ 606.22988 233.1
[M-H]- 582.23338 239.0
[M+NH4]+ 601.27448 233.0
[M+K]+ 622.20382 228.1
[M+H-H2O]+ 566.23792 218.7
[M+HCOO]- 628.23886 246.7
[M+CH3COO]- 642.25451 264.7
[M+Na-2H]- 604.21533 231.9
[M]+ 583.24011 225.6
[M]- 583.24121 225.6
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.