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 184.1
[M+Na]+ 388.08569 190.4
[M-H]- 364.08919 192.0
[M+NH4]+ 383.13029 197.6
[M+K]+ 404.05963 184.2
[M+H-H2O]+ 348.09373 176.4
[M+HCOO]- 410.09467 195.5
[M+CH3COO]- 424.11032 193.6
[M+Na-2H]- 386.07114 181.1
[M]+ 365.09592 184.1
[M]- 365.09702 184.2
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.