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]+ 315.100906 168.7
[M+Na]+ 337.082848 173.4
[M-H]- 313.086354 173.9
[M+NH4]+ 332.127453 180.1
[M+K]+ 353.056788 172.1
[M+H-H2O]+ 297.090890 160.6
[M+HCOO]- 359.091831 182.1
[M+CH3COO]- 373.107481 200.8
[M+Na-2H]- 335.068296 172.5
[M]+ 314.09308142 169.9
[M]- 314.09417858 169.9
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.