CID 38113

38865-09-7

Structural Information

Molecular Formula
C33H46N2O5
SMILES
CCN(CC)CCCC(C)OC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OC(C)CCCN(CC)CC
InChI
InChI=1S/C33H46N2O5/c1-7-34(8-2)19-11-13-23(5)39-32(37)25-15-17-27-28-18-16-26(22-30(28)31(36)29(27)21-25)33(38)40-24(6)14-12-20-35(9-3)10-4/h15-18,21-24H,7-14,19-20H2,1-6H3
InChIKey
HNLWGLKJZRZPOE-UHFFFAOYSA-N
Compound name
bis[5-(diethylamino)pentan-2-yl] 9-oxofluorene-2,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.3407 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.34798 245.5
[M+Na]+ 573.32992 245.4
[M-H]- 549.33342 250.9
[M+NH4]+ 568.37452 254.1
[M+K]+ 589.30386 243.9
[M+H-H2O]+ 533.33796 236.1
[M+HCOO]- 595.33890 262.0
[M+CH3COO]- 609.35455 268.0
[M+Na-2H]- 571.31537 237.4
[M]+ 550.34015 256.4
[M]- 550.34125 256.4
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.