CID 5495901

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

Structural Information

Molecular Formula
C23H27BrCl2N4O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Br)N
InChI
InChI=1S/C23H27BrCl2N4O2/c1-14(29-23(32)18-11-17(24)3-5-21(18)27)22(31)28-12-15-6-8-30(9-7-15)13-16-2-4-19(25)20(26)10-16/h2-5,10-11,14-15H,6-9,12-13,27H2,1H3,(H,28,31)(H,29,32)/t14-/m0/s1
InChIKey
DYHSMGYALJTCTJ-AWEZNQCLSA-N
Compound name
2-amino-5-bromo-N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.06946 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.07674 216.3
[M+Na]+ 563.05868 222.4
[M-H]- 539.06218 224.2
[M+NH4]+ 558.10328 224.3
[M+K]+ 579.03262 207.2
[M+H-H2O]+ 523.06672 212.7
[M+HCOO]- 585.06766 222.0
[M+CH3COO]- 599.08331 246.1
[M+Na-2H]- 561.04413 213.0
[M]+ 540.06891 232.8
[M]- 540.07001 232.8
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.