CID 3070249

3-methyl-7-methoxy-8-morpholinomethyl-4'-chloroflavone

Structural Information

Molecular Formula
C22H22ClNO4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H22ClNO4/c1-14-20(25)17-7-8-19(26-2)18(13-24-9-11-27-12-10-24)22(17)28-21(14)15-3-5-16(23)6-4-15/h3-8H,9-13H2,1-2H3
InChIKey
APDSITWJMGPJLM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12375 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13103 194.0
[M+Na]+ 422.11297 212.2
[M+NH4]+ 417.15757 202.2
[M+K]+ 438.08691 203.1
[M-H]- 398.11647 203.3
[M+Na-2H]- 420.09842 201.6
[M]+ 399.12320 199.9
[M]- 399.12430 199.9
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.