CID 1822585

Benzamide, 5-(aminosulfonyl)-2-methoxy-n-(3-(1-piperidinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H25N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCCCC2
InChI
InChI=1S/C16H25N3O4S/c1-23-15-7-6-13(24(17,21)22)12-14(15)16(20)18-8-5-11-19-9-3-2-4-10-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKey
JUYBNPNQJYBQGH-UHFFFAOYSA-N
Compound name
2-methoxy-N-(3-piperidin-1-ylpropyl)-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1566 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.163876 181.3
[M+Na]+ 378.145818 184.3
[M-H]- 354.149324 184.7
[M+NH4]+ 373.190423 191.8
[M+K]+ 394.119758 180.5
[M+H-H2O]+ 338.153860 172.6
[M+HCOO]- 400.154801 194.3
[M+CH3COO]- 414.170451 214.0
[M+Na-2H]- 376.131266 181.9
[M]+ 355.15605142 180.2
[M]- 355.15714858 180.2
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.