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 174.3
[M+Na]+ 351.09850 178.9
[M-H]- 327.10200 177.3
[M+NH4]+ 346.14310 187.8
[M+K]+ 367.07244 176.3
[M+H-H2O]+ 311.10654 166.7
[M+HCOO]- 373.10748 192.0
[M+CH3COO]- 387.12313 208.4
[M+Na-2H]- 349.08395 176.2
[M]+ 328.10873 179.1
[M]- 328.10983 179.1
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.