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 223.3
[M+Na]+ 521.19030 226.7
[M-H]- 497.19380 228.9
[M+NH4]+ 516.23490 235.4
[M+K]+ 537.16424 221.8
[M+H-H2O]+ 481.19834 215.5
[M+HCOO]- 543.19928 232.9
[M+CH3COO]- 557.21493 251.6
[M+Na-2H]- 519.17575 219.1
[M]+ 498.20053 234.4
[M]- 498.20163 234.4
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.