CID 5495897

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

Structural Information

Molecular Formula
C23H25Cl2F2N3O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=C(C=C(C=C2)F)F)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H25Cl2F2N3O2/c1-14(29-23(32)16-3-5-19(24)20(25)10-16)22(31)28-12-15-6-8-30(9-7-15)13-17-2-4-18(26)11-21(17)27/h2-5,10-11,14-15H,6-9,12-13H2,1H3,(H,28,31)(H,29,32)/t14-/m0/s1
InChIKey
REBKEIRCLDWIEW-AWEZNQCLSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.12918 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.13646 211.1
[M+Na]+ 506.11840 215.8
[M-H]- 482.12190 215.0
[M+NH4]+ 501.16300 217.9
[M+K]+ 522.09234 208.1
[M+H-H2O]+ 466.12644 200.3
[M+HCOO]- 528.12738 216.5
[M+CH3COO]- 542.14303 240.7
[M+Na-2H]- 504.10385 205.9
[M]+ 483.12863 209.4
[M]- 483.12973 209.4
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.