CID 508924

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

Structural Information

Molecular Formula
C23H28Cl2N4O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C23H28Cl2N4O2/c1-16(27-23(31)28-19-5-3-2-4-6-19)22(30)26-14-17-9-11-29(12-10-17)15-18-7-8-20(24)21(25)13-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,26,30)(H2,27,28,31)/t16-/m0/s1
InChIKey
AKOOQDBALQLGJH-INIZCTEOSA-N
Compound name
(2S)-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-2-(phenylcarbamoylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.15894 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16622 209.5
[M+Na]+ 485.14816 211.5
[M-H]- 461.15166 215.4
[M+NH4]+ 480.19276 216.4
[M+K]+ 501.12210 204.8
[M+H-H2O]+ 445.15620 200.0
[M+HCOO]- 507.15714 218.1
[M+CH3COO]- 521.17279 237.7
[M+Na-2H]- 483.13361 207.5
[M]+ 462.15839 208.2
[M]- 462.15949 208.2
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.