CID 163064

Mobil 10,027

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CCS(=O)(=O)NC1=C(C=C(C=C1C)OC(=O)NC)C
InChI
InChI=1S/C12H18N2O4S/c1-5-19(16,17)14-11-8(2)6-10(7-9(11)3)18-12(15)13-4/h6-7,14H,5H2,1-4H3,(H,13,15)
InChIKey
VAHSXEQRMYBGGI-UHFFFAOYSA-N
Compound name
[4-(ethylsulfonylamino)-3,5-dimethylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.09872 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10600 165.4
[M+Na]+ 309.08794 174.0
[M+NH4]+ 304.13254 170.7
[M+K]+ 325.06188 168.5
[M-H]- 285.09144 165.6
[M+Na-2H]- 307.07339 168.6
[M]+ 286.09817 166.8
[M]- 286.09927 166.8
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