CID 515390

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

Structural Information

Molecular Formula
C25H30N2O6
SMILES
C1COCCN1CCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=C(C=C4)OCCN5CCOCC5
InChI
InChI=1S/C25H30N2O6/c28-25-21-3-1-19(31-15-9-26-5-11-29-12-6-26)17-23(21)33-24-18-20(2-4-22(24)25)32-16-10-27-7-13-30-14-8-27/h1-4,17-18H,5-16H2
InChIKey
NZKUKKVXIYITFP-UHFFFAOYSA-N
Compound name
3,6-bis(2-morpholin-4-ylethoxy)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

454.2104 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21768 208.6
[M+Na]+ 477.19962 212.3
[M-H]- 453.20312 216.9
[M+NH4]+ 472.24422 210.9
[M+K]+ 493.17356 211.3
[M+H-H2O]+ 437.20766 194.7
[M+HCOO]- 499.20860 217.7
[M+CH3COO]- 513.22425 214.9
[M+Na-2H]- 475.18507 212.0
[M]+ 454.20985 210.2
[M]- 454.21095 210.2
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.