CID 431417

Bis(3-(dipropylamino)propyl) dibenzo(b,d)furan-2,8-dicarboxylate

Structural Information

Molecular Formula
C32H46N2O5
SMILES
CCCN(CCC)CCCOC(=O)C1=CC2=C(C=C1)OC3=C2C=C(C=C3)C(=O)OCCCN(CCC)CCC
InChI
InChI=1S/C32H46N2O5/c1-5-15-33(16-6-2)19-9-21-37-31(35)25-11-13-29-27(23-25)28-24-26(12-14-30(28)39-29)32(36)38-22-10-20-34(17-7-3)18-8-4/h11-14,23-24H,5-10,15-22H2,1-4H3
InChIKey
JJHKLVQGGXFIIM-UHFFFAOYSA-N
Compound name
bis[3-(dipropylamino)propyl] dibenzofuran-2,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.3407 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.34798 245.3
[M+Na]+ 561.32992 246.3
[M-H]- 537.33342 251.6
[M+NH4]+ 556.37452 253.3
[M+K]+ 577.30386 244.8
[M+H-H2O]+ 521.33796 234.9
[M+HCOO]- 583.33890 264.6
[M+CH3COO]- 597.35455 262.8
[M+Na-2H]- 559.31537 241.6
[M]+ 538.34015 259.3
[M]- 538.34125 259.3
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.