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

9
Patents

340.10928 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.116556 176.0
[M+Na]+ 363.098498 180.3
[M-H]- 339.102004 181.6
[M+NH4]+ 358.143103 186.1
[M+K]+ 379.072438 178.2
[M+H-H2O]+ 323.106540 168.4
[M+HCOO]- 385.107481 184.3
[M+CH3COO]- 399.123131 201.4
[M+Na-2H]- 361.083946 175.1
[M]+ 340.10873142 173.5
[M]- 340.10982858 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