CID 2433199

568566-60-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
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

patents stripe