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 178.0
[M-H]- 323.11832 173.7
[M+NH4]+ 342.15942 182.0
[M+K]+ 363.08876 173.8
[M+H-H2O]+ 307.12286 163.0
[M+HCOO]- 369.12380 182.7
[M+CH3COO]- 383.13945 180.4
[M+Na-2H]- 345.10027 176.1
[M]+ 324.12505 171.7
[M]- 324.12615 171.7
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.