CID 44966

N-(p-acetylaminobenzenesulfonyl)ethylurethane

Structural Information

Molecular Formula
C14H20N2O5S
SMILES
CCOC(=O)NCCS(=O)(=O)CC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C14H20N2O5S/c1-3-21-14(18)15-8-9-22(19,20)10-12-4-6-13(7-5-12)16-11(2)17/h4-7H,3,8-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
KDZCXNJPDQGLOW-UHFFFAOYSA-N
Compound name
ethyl N-[2-[(4-acetamidophenyl)methylsulfonyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10928 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11656 175.0
[M+Na]+ 351.09850 181.6
[M+NH4]+ 346.14310 179.0
[M+K]+ 367.07244 176.7
[M-H]- 327.10200 174.1
[M+Na-2H]- 349.08395 177.5
[M]+ 328.10873 175.6
[M]- 328.10983 175.6
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

No patent data available for this compound.