CID 3047463

N-(1'-benzyl-3'-piperidyl)-2-methoxy-4-amino-5-chlorobenzamide fumarate

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

2
Patents

373.1557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 190.0
[M+Na]+ 396.14492 194.8
[M-H]- 372.14842 196.9
[M+NH4]+ 391.18952 200.4
[M+K]+ 412.11886 188.6
[M+H-H2O]+ 356.15296 180.2
[M+HCOO]- 418.15390 204.4
[M+CH3COO]- 432.16955 220.9
[M+Na-2H]- 394.13037 189.8
[M]+ 373.15515 187.8
[M]- 373.15625 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