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 181.2
[M+Na]+ 380.08062 191.2
[M-H]- 356.08412 185.8
[M+NH4]+ 375.12522 193.3
[M+K]+ 396.05456 186.6
[M+H-H2O]+ 340.08866 173.6
[M+HCOO]- 402.08960 188.1
[M+CH3COO]- 416.10525 207.4
[M+Na-2H]- 378.06607 182.9
[M]+ 357.09085 187.2
[M]- 357.09195 187.2
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.