CID 216249

Dabuzalgron

Structural Information

Molecular Formula
C12H16ClN3O3S
SMILES
CC1=C(C=CC(=C1NS(=O)(=O)C)Cl)OCC2=NCCN2
InChI
InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)
InChIKey
FOYWMEJSRSBQGB-UHFFFAOYSA-N
Compound name
N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

81
Patents

317.0601 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06738 169.9
[M+Na]+ 340.04932 179.0
[M-H]- 316.05282 173.4
[M+NH4]+ 335.09392 184.2
[M+K]+ 356.02326 173.3
[M+H-H2O]+ 300.05736 163.3
[M+HCOO]- 362.05830 180.8
[M+CH3COO]- 376.07395 200.0
[M+Na-2H]- 338.03477 171.0
[M]+ 317.05955 173.7
[M]- 317.06065 173.7
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.