CID 5475

Tilorone

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(CC)CC
InChI
InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKey
MPMFCABZENCRHV-UHFFFAOYSA-N
Compound name
2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

381
References

2733
Patents

410.25696 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 205.4
[M+Na]+ 433.24618 210.1
[M-H]- 409.24968 212.3
[M+NH4]+ 428.29078 220.7
[M+K]+ 449.22012 207.2
[M+H-H2O]+ 393.25422 196.4
[M+HCOO]- 455.25516 228.3
[M+CH3COO]- 469.27081 240.5
[M+Na-2H]- 431.23163 205.2
[M]+ 410.25641 215.0
[M]- 410.25751 215.0
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.