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

77
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

literature stripe

Patent stripe

patents stripe