CID 37442

36417-33-1

Structural Information

Molecular Formula
C33H48N2O4
SMILES
CC(C)(CCCN(C)C)COC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)OCC(C)(C)CCCN(C)C
InChI
InChI=1S/C33H48N2O4/c1-32(2,15-9-17-34(5)6)22-38-30(36)24-11-13-28-26(19-24)21-27-20-25(12-14-29(27)28)31(37)39-23-33(3,4)16-10-18-35(7)8/h11-14,19-20H,9-10,15-18,21-23H2,1-8H3
InChIKey
UAQMWFHSAXFNFX-UHFFFAOYSA-N
Compound name
bis[5-(dimethylamino)-2,2-dimethylpentyl] 9H-fluorene-2,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.3614 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.36868 235.7
[M+Na]+ 559.35062 242.0
[M+NH4]+ 554.39522 239.9
[M+K]+ 575.32456 238.5
[M-H]- 535.35412 236.7
[M+Na-2H]- 557.33607 236.3
[M]+ 536.36085 236.7
[M]- 536.36195 236.7
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.