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 162.7
[M+Na]+ 309.08794 170.1
[M-H]- 285.09144 166.8
[M+NH4]+ 304.13254 178.7
[M+K]+ 325.06188 167.5
[M+H-H2O]+ 269.09598 156.0
[M+HCOO]- 331.09692 181.5
[M+CH3COO]- 345.11257 203.4
[M+Na-2H]- 307.07339 165.0
[M]+ 286.09817 167.6
[M]- 286.09927 167.6
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