CID 3044766

Benzamide, 4-amino-5-bromo-2-methoxy-n-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H24BrN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Br)N
InChI
InChI=1S/C20H24BrN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(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
VHDTYLNKPGIOQU-UHFFFAOYSA-N
Compound name
4-amino-N-(1-benzylpiperidin-4-yl)-5-bromo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11248 192.5
[M+Na]+ 440.09442 198.6
[M-H]- 416.09792 201.4
[M+NH4]+ 435.13902 203.9
[M+K]+ 456.06836 185.8
[M+H-H2O]+ 400.10246 188.0
[M+HCOO]- 462.10340 208.8
[M+CH3COO]- 476.11905 224.8
[M+Na-2H]- 438.07987 193.5
[M]+ 417.10465 206.5
[M]- 417.10575 206.5
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

No patent data available for this compound.