CID 5495881

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

Structural Information

Molecular Formula
C24H27Cl2F3N4O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)C(F)(F)F)N
InChI
InChI=1S/C24H27Cl2F3N4O2/c1-14(32-23(35)18-11-17(24(27,28)29)3-5-21(18)30)22(34)31-12-15-6-8-33(9-7-15)13-16-2-4-19(25)20(26)10-16/h2-5,10-11,14-15H,6-9,12-13,30H2,1H3,(H,31,34)(H,32,35)/t14-/m0/s1
InChIKey
MNJACQUISZZWPP-AWEZNQCLSA-N
Compound name
2-amino-N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.1463 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.15358 221.6
[M+Na]+ 553.13552 225.6
[M-H]- 529.13902 223.9
[M+NH4]+ 548.18012 226.2
[M+K]+ 569.10946 218.0
[M+H-H2O]+ 513.14356 210.4
[M+HCOO]- 575.14450 224.7
[M+CH3COO]- 589.16015 250.7
[M+Na-2H]- 551.12097 216.3
[M]+ 530.14575 217.3
[M]- 530.14685 217.3
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.