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]+ 356.16388 181.3
[M+Na]+ 378.14582 184.3
[M-H]- 354.14932 184.7
[M+NH4]+ 373.19042 191.8
[M+K]+ 394.11976 180.5
[M+H-H2O]+ 338.15386 172.6
[M+HCOO]- 400.15480 194.3
[M+CH3COO]- 414.17045 214.0
[M+Na-2H]- 376.13127 181.9
[M]+ 355.15605 180.2
[M]- 355.15715 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.