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 179.2
[M+Na]+ 377.11416 182.0
[M-H]- 353.11766 183.9
[M+NH4]+ 372.15876 186.6
[M+K]+ 393.08810 179.5
[M+H-H2O]+ 337.12220 170.2
[M+HCOO]- 399.12314 184.9
[M+CH3COO]- 413.13879 205.1
[M+Na-2H]- 375.09961 179.7
[M]+ 354.12439 174.7
[M]- 354.12549 174.7
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.