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 196.8
[M+Na]+ 422.11297 205.8
[M-H]- 398.11647 207.1
[M+NH4]+ 417.15757 205.6
[M+K]+ 438.08691 202.1
[M+H-H2O]+ 382.12101 186.3
[M+HCOO]- 444.12195 207.9
[M+CH3COO]- 458.13760 206.6
[M+Na-2H]- 420.09842 198.9
[M]+ 399.12320 201.6
[M]- 399.12430 201.6
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.