CID 217393

Bis(2-diethylaminoethyl)9-oxofluorene-2,7-dicarbothiolate dihydrochloride

Structural Information

Molecular Formula
C27H34N2O3S2
SMILES
CCN(CC)CCSC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)SCCN(CC)CC
InChI
InChI=1S/C27H34N2O3S2/c1-5-28(6-2)13-15-33-26(31)19-9-11-21-22-12-10-20(18-24(22)25(30)23(21)17-19)27(32)34-16-14-29(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKey
DIVZEGXJFXEQLQ-UHFFFAOYSA-N
Compound name
2-S,7-S-bis[2-(diethylamino)ethyl] 9-oxofluorene-2,7-dicarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.20108 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.20836 219.3
[M+Na]+ 521.19030 226.9
[M+NH4]+ 516.23490 225.7
[M+K]+ 537.16424 217.9
[M-H]- 497.19380 221.9
[M+Na-2H]- 519.17575 220.9
[M]+ 498.20053 221.9
[M]- 498.20163 221.9
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.