CID 3041767

K 9980

Structural Information

Molecular Formula
C24H28N2O5
SMILES
CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC(=O)C)CN4CCOCC4
InChI
InChI=1S/C24H28N2O5/c1-4-26(5-2)24-20(15-25-10-12-29-13-11-25)23(28)22-19-14-18(30-16(3)27)8-6-17(19)7-9-21(22)31-24/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKey
DXLGDDSGFPGQAC-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2-(morpholin-4-ylmethyl)-1-oxobenzo[f]chromen-9-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.19983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 202.0
[M+Na]+ 447.18905 216.4
[M+NH4]+ 442.23365 208.3
[M+K]+ 463.16299 209.6
[M-H]- 423.19255 209.2
[M+Na-2H]- 445.17450 206.4
[M]+ 424.19928 206.1
[M]- 424.20038 206.1
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.