CID 4961681

2-(chloromethyl)-5-(morpholine-4-sulfonyl)-1-propyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C15H20ClN3O3S
SMILES
CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCl
InChI
InChI=1S/C15H20ClN3O3S/c1-2-5-19-14-4-3-12(10-13(14)17-15(19)11-16)23(20,21)18-6-8-22-9-7-18/h3-4,10H,2,5-9,11H2,1H3
InChIKey
KFGCQYFBMOJOQY-UHFFFAOYSA-N
Compound name
4-[2-(chloromethyl)-1-propylbenzimidazol-5-yl]sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

357.0914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09868 180.5
[M+Na]+ 380.08062 193.7
[M+NH4]+ 375.12522 187.2
[M+K]+ 396.05456 187.1
[M-H]- 356.08412 183.0
[M+Na-2H]- 378.06607 184.7
[M]+ 357.09085 183.8
[M]- 357.09195 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.