CID 3071451

N-(3-morpholino-2-methyl-1-propyl)-1-methyl-4-imidazolesulfonamide hydrochloride

Structural Information

Molecular Formula
C12H22N4O3S
SMILES
CC(CNS(=O)(=O)C1=CN(C=N1)C)CN2CCOCC2
InChI
InChI=1S/C12H22N4O3S/c1-11(8-16-3-5-19-6-4-16)7-14-20(17,18)12-9-15(2)10-13-12/h9-11,14H,3-8H2,1-2H3
InChIKey
ZCVAEJVLIHTHTE-UHFFFAOYSA-N
Compound name
1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.14127 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14855 169.3
[M+Na]+ 325.13049 174.6
[M-H]- 301.13399 172.2
[M+NH4]+ 320.17509 180.7
[M+K]+ 341.10443 173.0
[M+H-H2O]+ 285.13853 161.0
[M+HCOO]- 347.13947 180.6
[M+CH3COO]- 361.15512 200.9
[M+Na-2H]- 323.11594 170.3
[M]+ 302.14072 170.0
[M]- 302.14182 170.0
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

patents stripe