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 253.7
[M+Na]+ 587.38192 252.4
[M-H]- 563.38542 258.2
[M+NH4]+ 582.42652 261.8
[M+K]+ 603.35586 248.7
[M+H-H2O]+ 547.38996 243.0
[M+HCOO]- 609.39090 271.2
[M+CH3COO]- 623.40655 269.3
[M+Na-2H]- 585.36737 246.9
[M]+ 564.39215 265.3
[M]- 564.39325 265.3
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.