CID 3071469

4-methyl-4-(3-(1-methyl-4-imidazolesulfamoyl)-1-propyl)morpholinium iodide

Structural Information

Molecular Formula
C12H23N4O3S
SMILES
CN1C=C(N=C1)S(=O)(=O)NCCC[N+]2(CCOCC2)C
InChI
InChI=1S/C12H23N4O3S/c1-15-10-12(13-11-15)20(17,18)14-4-3-5-16(2)6-8-19-9-7-16/h10-11,14H,3-9H2,1-2H3/q+1
InChIKey
HNYRONCIRKYGNT-UHFFFAOYSA-N
Compound name
1-methyl-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.14908 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15636 163.5
[M+Na]+ 326.13830 169.5
[M-H]- 302.14180 166.7
[M+NH4]+ 321.18290 176.9
[M+K]+ 342.11224 162.2
[M+H-H2O]+ 286.14634 158.6
[M+HCOO]- 348.14728 175.5
[M+CH3COO]- 362.16293 192.4
[M+Na-2H]- 324.12375 170.3
[M]+ 303.14853 163.0
[M]- 303.14963 163.0
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.