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
7
Annotation Hits

381
References

2588
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

literature stripe

Patent stripe

patents stripe