CID 129634

69082-48-0

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

3
Patents

373.1557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 190.0
[M+Na]+ 396.14492 202.9
[M+NH4]+ 391.18952 197.3
[M+K]+ 412.11886 194.7
[M-H]- 372.14842 196.4
[M+Na-2H]- 394.13037 197.7
[M]+ 373.15515 193.8
[M]- 373.15625 193.8
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