CID 3071458

1h-imidazole-2-sulfonamide, 1-methyl-n-(3-(4-morpholinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H20N4O3S
SMILES
CN1C=CN=C1S(=O)(=O)NCCCN2CCOCC2
InChI
InChI=1S/C11H20N4O3S/c1-14-6-4-12-11(14)19(16,17)13-3-2-5-15-7-9-18-10-8-15/h4,6,13H,2-3,5,7-10H2,1H3
InChIKey
WXHJKJBNMHLNRL-UHFFFAOYSA-N
Compound name
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.1256 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13288 164.9
[M+Na]+ 311.11482 170.9
[M-H]- 287.11832 167.8
[M+NH4]+ 306.15942 177.0
[M+K]+ 327.08876 169.0
[M+H-H2O]+ 271.12286 156.6
[M+HCOO]- 333.12380 177.6
[M+CH3COO]- 347.13945 197.1
[M+Na-2H]- 309.10027 167.3
[M]+ 288.12505 165.8
[M]- 288.12615 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