CID 508749

Chembl187469

Structural Information

Molecular Formula
C23H28ClN3O2
SMILES
CC1=CC(=CC=C1)C(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H28ClN3O2/c1-17-3-2-4-20(13-17)23(29)26-15-22(28)25-14-18-9-11-27(12-10-18)16-19-5-7-21(24)8-6-19/h2-8,13,18H,9-12,14-16H2,1H3,(H,25,28)(H,26,29)
InChIKey
BKTRLKZQKDEDRS-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.187 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19428 201.2
[M+Na]+ 436.17622 203.7
[M-H]- 412.17972 207.7
[M+NH4]+ 431.22082 209.7
[M+K]+ 452.15016 197.1
[M+H-H2O]+ 396.18426 190.8
[M+HCOO]- 458.18520 214.4
[M+CH3COO]- 472.20085 228.5
[M+Na-2H]- 434.16167 200.1
[M]+ 413.18645 199.2
[M]- 413.18755 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.