CID 508933

(2s)-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-3-hydroxy-2-(phenylcarbamoylamino)propanamide

Structural Information

Molecular Formula
C23H29ClN4O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CO)NC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN4O3/c24-19-8-6-18(7-9-19)15-28-12-10-17(11-13-28)14-25-22(30)21(16-29)27-23(31)26-20-4-2-1-3-5-20/h1-9,17,21,29H,10-16H2,(H,25,30)(H2,26,27,31)/t21-/m0/s1
InChIKey
FALWUCUVXZGNHK-NRFANRHFSA-N
Compound name
(2S)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxy-2-(phenylcarbamoylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1928 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20008 204.4
[M+Na]+ 467.18202 204.2
[M-H]- 443.18552 209.3
[M+NH4]+ 462.22662 210.2
[M+K]+ 483.15596 198.6
[M+H-H2O]+ 427.19006 194.1
[M+HCOO]- 489.19100 216.6
[M+CH3COO]- 503.20665 232.9
[M+Na-2H]- 465.16747 203.7
[M]+ 444.19225 200.5
[M]- 444.19335 200.5
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.