CID 3078103

1h-imidazole-4-sulfonamide, 1-methyl-n-(4-(4-morpholinyl)butyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H22N4O3S
SMILES
CN1C=C(N=C1)S(=O)(=O)NCCCCN2CCOCC2
InChI
InChI=1S/C12H22N4O3S/c1-15-10-12(13-11-15)20(17,18)14-4-2-3-5-16-6-8-19-9-7-16/h10-11,14H,2-9H2,1H3
InChIKey
SXNATBDJAMFBLG-UHFFFAOYSA-N
Compound name
1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.14127 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14855 169.1
[M+Na]+ 325.13049 174.7
[M-H]- 301.13399 171.8
[M+NH4]+ 320.17509 180.6
[M+K]+ 341.10443 172.6
[M+H-H2O]+ 285.13853 160.6
[M+HCOO]- 347.13947 181.5
[M+CH3COO]- 361.15512 200.0
[M+Na-2H]- 323.11594 171.1
[M]+ 302.14072 170.3
[M]- 302.14182 170.3
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