CID 3087690

115636-79-8

Structural Information

Molecular Formula
C14H20N4O3S
SMILES
C1COCCN1CCCNS(=O)(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H20N4O3S/c19-22(20,14-16-12-4-1-2-5-13(12)17-14)15-6-3-7-18-8-10-21-11-9-18/h1-2,4-5,15H,3,6-11H2,(H,16,17)
InChIKey
PVJUULXOCTVZCK-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13288 171.2
[M+Na]+ 347.11482 181.2
[M+NH4]+ 342.15942 177.0
[M+K]+ 363.08876 176.4
[M-H]- 323.11832 173.3
[M+Na-2H]- 345.10027 175.5
[M]+ 324.12505 173.4
[M]- 324.12615 173.4
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.