CID 515405

9h-xanthene-2,7-dimethanol, a,a'-bis(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C25H32N2O5
SMILES
C1COCCN1CC(C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(CN5CCOCC5)O)O
InChI
InChI=1S/C25H32N2O5/c28-22(16-26-5-9-30-10-6-26)18-1-3-24-20(13-18)15-21-14-19(2-4-25(21)32-24)23(29)17-27-7-11-31-12-8-27/h1-4,13-14,22-23,28-29H,5-12,15-17H2
InChIKey
CUEHJUIRMPOHCU-UHFFFAOYSA-N
Compound name
1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.2311 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23838 205.5
[M+Na]+ 463.22032 204.9
[M-H]- 439.22382 210.2
[M+NH4]+ 458.26492 206.6
[M+K]+ 479.19426 203.6
[M+H-H2O]+ 423.22836 193.1
[M+HCOO]- 485.22930 206.7
[M+CH3COO]- 499.24495 209.3
[M+Na-2H]- 461.20577 205.2
[M]+ 440.23055 199.1
[M]- 440.23165 199.1
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

No patent data available for this compound.