CID 5495899

3,4-dichloro-n-[(1s)-2-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C23H26Cl2FN3O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)F)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H26Cl2FN3O2/c1-15(28-23(31)18-4-7-20(24)21(25)12-18)22(30)27-13-16-8-10-29(11-9-16)14-17-2-5-19(26)6-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,27,30)(H,28,31)/t15-/m0/s1
InChIKey
AJSHDMJDXDNQQS-HNNXBMFYSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1386 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.14588 208.4
[M+Na]+ 488.12782 212.2
[M-H]- 464.13132 213.3
[M+NH4]+ 483.17242 215.7
[M+K]+ 504.10176 204.8
[M+H-H2O]+ 448.13586 198.3
[M+HCOO]- 510.13680 214.9
[M+CH3COO]- 524.15245 236.9
[M+Na-2H]- 486.11327 204.5
[M]+ 465.13805 207.2
[M]- 465.13915 207.2
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.