CID 129634

Dtxsid30988802

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
COC1=C(C=C(C(=C1)N)Cl)NC(=O)C2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H24ClN3O2/c1-26-19-12-17(22)16(21)11-18(19)23-20(25)15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
InChIKey
CIOOCLHMBKBLRB-UHFFFAOYSA-N
Compound name
N-(4-amino-5-chloro-2-methoxyphenyl)-1-benzylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

373.1557 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe