CID 508932

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

Structural Information

Molecular Formula
C23H28Cl2N4O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CO)NC(=O)NC2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H28Cl2N4O3/c24-19-7-6-17(12-20(19)25)14-29-10-8-16(9-11-29)13-26-22(31)21(15-30)28-23(32)27-18-4-2-1-3-5-18/h1-7,12,16,21,30H,8-11,13-15H2,(H,26,31)(H2,27,28,32)/t21-/m0/s1
InChIKey
YQPILEUUDOBUAM-NRFANRHFSA-N
Compound name
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxy-2-(phenylcarbamoylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.15384 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.16112 210.2
[M+Na]+ 501.14306 211.5
[M-H]- 477.14656 214.9
[M+NH4]+ 496.18766 215.7
[M+K]+ 517.11700 205.0
[M+H-H2O]+ 461.15110 201.0
[M+HCOO]- 523.15204 217.6
[M+CH3COO]- 537.16769 237.8
[M+Na-2H]- 499.12851 208.2
[M]+ 478.15329 208.6
[M]- 478.15439 208.6
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.