CID 515389

3,6-bis(2-diethylaminoethyloxy)xanthen-9-one

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCCN(CC)CC
InChI
InChI=1S/C25H34N2O4/c1-5-26(6-2)13-15-29-19-9-11-21-23(17-19)31-24-18-20(10-12-22(24)25(21)28)30-16-14-27(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKey
LOJDXZWAURNLGY-UHFFFAOYSA-N
Compound name
3,6-bis[2-(diethylamino)ethoxy]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

426.25186 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 208.9
[M+Na]+ 449.24108 214.7
[M-H]- 425.24458 216.7
[M+NH4]+ 444.28568 220.3
[M+K]+ 465.21502 213.4
[M+H-H2O]+ 409.24912 198.2
[M+HCOO]- 471.25006 231.5
[M+CH3COO]- 485.26571 242.8
[M+Na-2H]- 447.22653 212.7
[M]+ 426.25131 221.0
[M]- 426.25241 221.0
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.