CID 3067698

81865-20-5

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C
InChI
InChI=1S/C12H18N2O4S/c1-4-18-12(15)13-10-5-7-11(8-6-10)19(16,17)14-9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKey
LOQYWMRGJGVYGX-UHFFFAOYSA-N
Compound name
ethyl N-[4-(propan-2-ylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 163.5
[M+Na]+ 309.08794 168.9
[M-H]- 285.09144 166.9
[M+NH4]+ 304.13254 178.8
[M+K]+ 325.06188 166.7
[M+H-H2O]+ 269.09598 156.4
[M+HCOO]- 331.09692 181.4
[M+CH3COO]- 345.11257 201.7
[M+Na-2H]- 307.07339 166.0
[M]+ 286.09817 167.0
[M]- 286.09927 167.0
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.