CID 2577517

794554-68-0

Structural Information

Molecular Formula
C15H22N2O5S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)O
InChI
InChI=1S/C15H22N2O5S/c1-3-17(4-2)23(20,21)12-5-6-14(13(11-12)15(18)19)16-7-9-22-10-8-16/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKey
VUCMZJWEELKWJY-UHFFFAOYSA-N
Compound name
5-(diethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

342.12494 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13222 176.6
[M+Na]+ 365.11416 180.6
[M-H]- 341.11766 181.7
[M+NH4]+ 360.15876 186.8
[M+K]+ 381.08810 179.6
[M+H-H2O]+ 325.12220 168.5
[M+HCOO]- 387.12314 188.1
[M+CH3COO]- 401.13879 210.3
[M+Na-2H]- 363.09961 177.9
[M]+ 342.12439 178.4
[M]- 342.12549 178.4
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.