CID 3047461

Benzamide, 4-amino-5-chloro-2-methoxy-n-(1-(2-thienyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H20ClN3O2S
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)C3=CC=CS3)Cl)N
InChI
InChI=1S/C17H20ClN3O2S/c1-23-15-10-14(19)13(18)9-12(15)17(22)20-11-4-6-21(7-5-11)16-3-2-8-24-16/h2-3,8-11H,4-7,19H2,1H3,(H,20,22)
InChIKey
IROZNLRRGJESQZ-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09647 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10375 182.9
[M+Na]+ 388.08569 193.7
[M+NH4]+ 383.13029 190.7
[M+K]+ 404.05963 186.8
[M-H]- 364.08919 188.6
[M+Na-2H]- 386.07114 189.3
[M]+ 365.09592 186.5
[M]- 365.09702 186.5
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.