CID 376526

Nsc657485

Structural Information

Molecular Formula
C14H21NO7S
SMILES
C1COCCOC2=C(C=C(C=C2)S(=O)(=O)N)OCCOCCO1
InChI
InChI=1S/C14H21NO7S/c15-23(16,17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2,(H2,15,16,17)
InChIKey
GECGMOOZAWAKPE-UHFFFAOYSA-N
Compound name
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10388 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11116 173.0
[M+Na]+ 370.09310 177.3
[M-H]- 346.09660 178.2
[M+NH4]+ 365.13770 177.1
[M+K]+ 386.06704 182.0
[M+H-H2O]+ 330.10114 171.4
[M+HCOO]- 392.10208 180.9
[M+CH3COO]- 406.11773 199.9
[M+Na-2H]- 368.07855 179.7
[M]+ 347.10333 170.8
[M]- 347.10443 170.8
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

No patent data available for this compound.