CID 3070244

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

Structural Information

Molecular Formula
C22H22FNO4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H22FNO4/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
VKUMPENJZORLKG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-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

383.1533 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16058 193.8
[M+Na]+ 406.14252 202.2
[M-H]- 382.14602 203.0
[M+NH4]+ 401.18712 202.2
[M+K]+ 422.11646 199.2
[M+H-H2O]+ 366.15056 181.7
[M+HCOO]- 428.15150 208.4
[M+CH3COO]- 442.16715 203.4
[M+Na-2H]- 404.12797 195.7
[M]+ 383.15275 195.1
[M]- 383.15385 195.1
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.