CID 509010

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

Structural Information

Molecular Formula
C23H26Cl2FN3O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CO)NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC(=CC=C3)F
InChI
InChI=1S/C23H26Cl2FN3O3/c24-19-5-4-17(11-20(19)25)22(31)28-21(14-30)23(32)27-12-15-6-8-29(9-7-15)13-16-2-1-3-18(26)10-16/h1-5,10-11,15,21,30H,6-9,12-14H2,(H,27,32)(H,28,31)/t21-/m0/s1
InChIKey
HPMAXVYNHVBIRR-NRFANRHFSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.1335 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.14078 209.5
[M+Na]+ 504.12272 212.6
[M-H]- 480.12622 213.2
[M+NH4]+ 499.16732 215.4
[M+K]+ 520.09666 205.4
[M+H-H2O]+ 464.13076 199.8
[M+HCOO]- 526.13170 214.8
[M+CH3COO]- 540.14735 237.0
[M+Na-2H]- 502.10817 205.6
[M]+ 481.13295 208.0
[M]- 481.13405 208.0
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.