CID 508962

(2s)-n-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-2-(phenylcarbamoylamino)pentanediamide

Structural Information

Molecular Formula
C25H32ClN5O3
SMILES
C1CN(CCC1CNC(=O)[C@H](CCC(=O)N)NC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H32ClN5O3/c26-20-8-6-19(7-9-20)17-31-14-12-18(13-15-31)16-28-24(33)22(10-11-23(27)32)30-25(34)29-21-4-2-1-3-5-21/h1-9,18,22H,10-17H2,(H2,27,32)(H,28,33)(H2,29,30,34)/t22-/m0/s1
InChIKey
OEZRMAXKPGVPCL-QFIPXVFZSA-N
Compound name
(2S)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(phenylcarbamoylamino)pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.21936 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.22664 215.2
[M+Na]+ 508.20858 213.7
[M-H]- 484.21208 220.7
[M+NH4]+ 503.25318 219.3
[M+K]+ 524.18252 208.7
[M+H-H2O]+ 468.21662 204.4
[M+HCOO]- 530.21756 227.9
[M+CH3COO]- 544.23321 246.0
[M+Na-2H]- 506.19403 212.7
[M]+ 485.21881 211.1
[M]- 485.21991 211.1
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.