CID 3071462

1h-imidazole-4-sulfonamide, 5-chloro-1-methyl-n-(3-(4-morpholinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H19ClN4O3S
SMILES
CN1C=NC(=C1Cl)S(=O)(=O)NCCCN2CCOCC2
InChI
InChI=1S/C11H19ClN4O3S/c1-15-9-13-11(10(15)12)20(17,18)14-3-2-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3
InChIKey
KVYXJODMARQBIL-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

322.08664 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09392 172.1
[M+Na]+ 345.07586 179.3
[M-H]- 321.07936 175.2
[M+NH4]+ 340.12046 183.8
[M+K]+ 361.04980 176.0
[M+H-H2O]+ 305.08390 164.3
[M+HCOO]- 367.08484 179.9
[M+CH3COO]- 381.10049 201.9
[M+Na-2H]- 343.06131 173.2
[M]+ 322.08609 175.0
[M]- 322.08719 175.0
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

patents stripe