CID 37444

36417-37-5

Structural Information

Molecular Formula
C35H52N2O4
SMILES
CCN(CC)CCCCCCOC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)OCCCCCCN(CC)CC
InChI
InChI=1S/C35H52N2O4/c1-5-36(6-2)21-13-9-11-15-23-40-34(38)28-17-19-32-30(25-28)27-31-26-29(18-20-33(31)32)35(39)41-24-16-12-10-14-22-37(7-3)8-4/h17-20,25-26H,5-16,21-24,27H2,1-4H3
InChIKey
ZFFTXNJNZLHZJY-UHFFFAOYSA-N
Compound name
bis[6-(diethylamino)hexyl] 9H-fluorene-2,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.3927 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.39998 248.5
[M+Na]+ 587.38192 255.0
[M+NH4]+ 582.42652 252.7
[M+K]+ 603.35586 248.2
[M-H]- 563.38542 250.5
[M+Na-2H]- 585.36737 248.0
[M]+ 564.39215 249.6
[M]- 564.39325 249.6
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

No patent data available for this compound.