CID 4961661

796106-55-3

Structural Information

Molecular Formula
C15H20N2O6S
SMILES
C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O
InChI
InChI=1S/C15H20N2O6S/c18-15(19)13-11-12(24(20,21)17-5-9-23-10-6-17)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2,(H,18,19)
InChIKey
PDGGGTAUHVTAJJ-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

356.10422 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.111496 177.9
[M+Na]+ 379.093438 181.1
[M-H]- 355.096944 183.4
[M+NH4]+ 374.138043 183.8
[M+K]+ 395.067378 180.4
[M+H-H2O]+ 339.101480 169.0
[M+HCOO]- 401.102421 183.4
[M+CH3COO]- 415.118071 205.0
[M+Na-2H]- 377.078886 179.6
[M]+ 356.10367142 174.9
[M]- 356.10476858 174.9
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