CID 515398

Schembl11801917

Structural Information

Molecular Formula
C25H28N2O5
SMILES
C1COCCN1CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)CN5CCOCC5
InChI
InChI=1S/C25H28N2O5/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/h1-4,13-14H,5-12,15-17H2
InChIKey
VEJQWDLBNNHHTJ-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1-[7-(2-morpholin-4-ylacetyl)-9H-xanthen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

436.19983 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20711 204.6
[M+Na]+ 459.18905 205.4
[M-H]- 435.19255 211.9
[M+NH4]+ 454.23365 206.9
[M+K]+ 475.16299 204.3
[M+H-H2O]+ 419.19709 191.5
[M+HCOO]- 481.19803 209.1
[M+CH3COO]- 495.21368 209.7
[M+Na-2H]- 457.17450 204.8
[M]+ 436.19928 200.0
[M]- 436.20038 200.0
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