CID 3067696

Carbamic acid, (4-(4-morpholinylsulfonyl)phenyl)-, ethyl ester

Structural Information

Molecular Formula
C13H18N2O5S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C13H18N2O5S/c1-2-20-13(16)14-11-3-5-12(6-4-11)21(17,18)15-7-9-19-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChIKey
FRZNYAUQCYFOCI-UHFFFAOYSA-N
Compound name
ethyl N-(4-morpholin-4-ylsulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.09363 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10091 168.3
[M+Na]+ 337.08285 177.2
[M+NH4]+ 332.12745 173.7
[M+K]+ 353.05679 172.1
[M-H]- 313.08635 170.6
[M+Na-2H]- 335.06830 172.6
[M]+ 314.09308 170.3
[M]- 314.09418 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.