CID 3071470

N-(3-morpholinopropyl)-1-methyl-4-imidazolesulfonamide

Structural Information

Molecular Formula
C11H20N4O3S
SMILES
CN1C=C(N=C1)S(=O)(=O)NCCCN2CCOCC2
InChI
InChI=1S/C11H20N4O3S/c1-14-9-11(12-10-14)19(16,17)13-3-2-4-15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3
InChIKey
KCWIXYBVHBWUJO-UHFFFAOYSA-N
Compound name
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.1256 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.132876 164.9
[M+Na]+ 311.114818 170.9
[M-H]- 287.118324 167.8
[M+NH4]+ 306.159423 177.0
[M+K]+ 327.088758 169.0
[M+H-H2O]+ 271.122860 156.6
[M+HCOO]- 333.123801 177.6
[M+CH3COO]- 347.139451 197.1
[M+Na-2H]- 309.100266 167.3
[M]+ 288.12505142 165.8
[M]- 288.12614858 165.8
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

patents stripe