CID 3041765

K 9957

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC)CN4CCOCC4
InChI
InChI=1S/C23H28N2O4/c1-4-25(5-2)23-19(15-24-10-12-28-13-11-24)22(26)21-18-14-17(27-3)8-6-16(18)7-9-20(21)29-23/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKey
QIPQEJYGVMJCEO-UHFFFAOYSA-N
Compound name
3-(diethylamino)-9-methoxy-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 196.4
[M+Na]+ 419.19412 212.0
[M+NH4]+ 414.23872 204.0
[M+K]+ 435.16806 204.0
[M-H]- 395.19762 204.7
[M+Na-2H]- 417.17957 201.9
[M]+ 396.20435 201.2
[M]- 396.20545 201.2
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.