CID 508944

2-amino-n-[(1s)-2-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methylamino]-1-(hydroxymethyl)-2-oxo-ethyl]-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H27Cl2F3N4O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CO)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H27Cl2F3N4O3/c25-18-3-1-15(9-19(18)26)12-33-7-5-14(6-8-33)11-31-23(36)21(13-34)32-22(35)17-10-16(24(27,28)29)2-4-20(17)30/h1-4,9-10,14,21,34H,5-8,11-13,30H2,(H,31,36)(H,32,35)/t21-/m0/s1
InChIKey
FWPNESDLOPEKAY-NRFANRHFSA-N
Compound name
2-amino-N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.14124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.14852 222.2
[M+Na]+ 569.13046 225.6
[M-H]- 545.13396 223.3
[M+NH4]+ 564.17506 225.4
[M+K]+ 585.10440 218.2
[M+H-H2O]+ 529.13850 211.4
[M+HCOO]- 591.13944 224.2
[M+CH3COO]- 605.15509 250.9
[M+Na-2H]- 567.11591 217.0
[M]+ 546.14069 217.6
[M]- 546.14179 217.6
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.