CID 431418

30568-68-4

Structural Information

Molecular Formula
C36H54N2O5
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)OC3=C2C=C(C=C3)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C36H54N2O5/c1-5-9-19-37(20-10-6-2)23-13-25-41-35(39)29-15-17-33-31(27-29)32-28-30(16-18-34(32)43-33)36(40)42-26-14-24-38(21-11-7-3)22-12-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3
InChIKey
BHFRIPJBTQLQIO-UHFFFAOYSA-N
Compound name
bis[3-(dibutylamino)propyl] dibenzofuran-2,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.40326 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.41054 263.5
[M+Na]+ 617.39248 262.6
[M-H]- 593.39598 268.8
[M+NH4]+ 612.43708 269.0
[M+K]+ 633.36642 260.3
[M+H-H2O]+ 577.40052 252.3
[M+HCOO]- 639.40146 281.2
[M+CH3COO]- 653.41711 273.9
[M+Na-2H]- 615.37793 257.6
[M]+ 594.40271 278.7
[M]- 594.40381 278.7
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.