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

literature stripe

Patent stripe

patents stripe