CID 2393296

554437-00-2

Structural Information

Molecular Formula
C16H22N2O5S
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O
InChI
InChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-8-10-23-11-9-18)4-5-15(14)17-6-2-1-3-7-17/h4-5,12H,1-3,6-11H2,(H,19,20)
InChIKey
TXGMTPYEVSTAQL-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

354.12494 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13222 177.4
[M+Na]+ 377.11416 186.8
[M+NH4]+ 372.15876 182.6
[M+K]+ 393.08810 181.6
[M-H]- 353.11766 180.4
[M+Na-2H]- 375.09961 181.8
[M]+ 354.12439 179.7
[M]- 354.12549 179.7
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.