CID 508762

N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]furan-3-carboxamide

Structural Information

Molecular Formula
C20H24ClN3O3
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=COC=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN3O3/c21-18-3-1-16(2-4-18)13-24-8-5-15(6-9-24)11-22-19(25)12-23-20(26)17-7-10-27-14-17/h1-4,7,10,14-15H,5-6,8-9,11-13H2,(H,22,25)(H,23,26)
InChIKey
CDBURYQYIMHJQP-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15788 194.3
[M+Na]+ 412.13982 197.1
[M-H]- 388.14332 202.0
[M+NH4]+ 407.18442 204.2
[M+K]+ 428.11376 192.7
[M+H-H2O]+ 372.14786 184.8
[M+HCOO]- 434.14880 208.7
[M+CH3COO]- 448.16445 220.5
[M+Na-2H]- 410.12527 193.5
[M]+ 389.15005 193.7
[M]- 389.15115 193.7
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.