CID 2512670

790271-13-5

Structural Information

Molecular Formula
C15H20N2O5S
SMILES
C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O
InChI
InChI=1S/C15H20N2O5S/c18-15(19)13-11-12(3-4-14(13)16-5-1-2-6-16)23(20,21)17-7-9-22-10-8-17/h3-4,11H,1-2,5-10H2,(H,18,19)
InChIKey
DOCGCIMQYBQMOA-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

340.10928 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11656 174.5
[M+Na]+ 363.09850 183.0
[M+NH4]+ 358.14310 179.6
[M+K]+ 379.07244 180.1
[M-H]- 339.10200 176.8
[M+Na-2H]- 361.08395 178.0
[M]+ 340.10873 176.4
[M]- 340.10983 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe