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 176.0
[M+Na]+ 363.09850 180.3
[M-H]- 339.10200 181.6
[M+NH4]+ 358.14310 186.1
[M+K]+ 379.07244 178.2
[M+H-H2O]+ 323.10654 168.4
[M+HCOO]- 385.10748 184.3
[M+CH3COO]- 399.12313 201.4
[M+Na-2H]- 361.08395 175.1
[M]+ 340.10873 173.5
[M]- 340.10983 173.5
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