CID 515394

2,7-bis[2-(diethylamino)acetyl]xanthen-9-one

Structural Information

Molecular Formula
C25H30N2O4
SMILES
CCN(CC)CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)CN(CC)CC
InChI
InChI=1S/C25H30N2O4/c1-5-26(6-2)15-21(28)17-9-11-23-19(13-17)25(30)20-14-18(10-12-24(20)31-23)22(29)16-27(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3
InChIKey
ALKOGUIQXKBGBU-UHFFFAOYSA-N
Compound name
2,7-bis[2-(diethylamino)acetyl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

422.22055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22783 206.3
[M+Na]+ 445.20977 212.0
[M-H]- 421.21327 214.3
[M+NH4]+ 440.25437 217.5
[M+K]+ 461.18371 210.8
[M+H-H2O]+ 405.21781 196.3
[M+HCOO]- 467.21875 227.3
[M+CH3COO]- 481.23440 243.3
[M+Na-2H]- 443.19522 207.9
[M]+ 422.22000 215.8
[M]- 422.22110 215.8
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