CID 3050058

65615-01-2

Structural Information

Molecular Formula
C12H16ClN3O3S
SMILES
CC(C)N1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)Cl
InChI
InChI=1S/C12H16ClN3O3S/c1-8(2)15-6-12(17)16(7-15)11-4-3-9(5-10(11)13)20(14,18)19/h3-5,8H,6-7H2,1-2H3,(H2,14,18,19)
InChIKey
YLHZKBFSDMBCAK-UHFFFAOYSA-N
Compound name
3-chloro-4-(5-oxo-3-propan-2-ylimidazolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0601 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06738 170.4
[M+Na]+ 340.04932 179.7
[M-H]- 316.05282 174.9
[M+NH4]+ 335.09392 185.2
[M+K]+ 356.02326 174.7
[M+H-H2O]+ 300.05736 164.2
[M+HCOO]- 362.05830 179.9
[M+CH3COO]- 376.07395 203.6
[M+Na-2H]- 338.03477 168.4
[M]+ 317.05955 172.9
[M]- 317.06065 172.9
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.