CID 434275

72492-83-2

Structural Information

Molecular Formula
C26H36N2O6
SMILES
CCN(CC)CCOC(=O)C1=C(OC2=CC3=C(C=C21)OC(=C3C(=O)OCCN(CC)CC)C)C
InChI
InChI=1S/C26H36N2O6/c1-7-27(8-2)11-13-31-25(29)23-17(5)33-21-16-20-22(15-19(21)23)34-18(6)24(20)26(30)32-14-12-28(9-3)10-4/h15-16H,7-14H2,1-6H3
InChIKey
OHBRYBYQENMCNB-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

472.25732 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26460 224.4
[M+Na]+ 495.24654 230.6
[M-H]- 471.25004 234.2
[M+NH4]+ 490.29114 236.6
[M+K]+ 511.22048 231.9
[M+H-H2O]+ 455.25458 217.4
[M+HCOO]- 517.25552 247.2
[M+CH3COO]- 531.27117 250.3
[M+Na-2H]- 493.23199 221.9
[M]+ 472.25677 241.6
[M]- 472.25787 241.6
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