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

literature stripe

Patent stripe

patents stripe