CID 3047463

63639-50-9

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCCN(C2)CC3=CC=CC=C3)Cl)N
InChI
InChI=1S/C20H24ClN3O2/c1-26-19-11-18(22)17(21)10-16(19)20(25)23-15-8-5-9-24(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12-13,22H2,1H3,(H,23,25)
InChIKey
NKNTXYMZEFEUNK-UHFFFAOYSA-N
Compound name
4-amino-N-(1-benzylpiperidin-3-yl)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.1557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.162976 190.0
[M+Na]+ 396.144918 194.8
[M-H]- 372.148424 196.9
[M+NH4]+ 391.189523 200.4
[M+K]+ 412.118858 188.6
[M+H-H2O]+ 356.152960 180.2
[M+HCOO]- 418.153901 204.4
[M+CH3COO]- 432.169551 220.9
[M+Na-2H]- 394.130366 189.8
[M]+ 373.15515142 187.8
[M]- 373.15624858 187.8
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

patents stripe