CID 54410

Flavodilol

Structural Information

Molecular Formula
C21H23NO4
SMILES
CCCNCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3
InChIKey
KRBRHCLLOOCWQF-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-(propylamino)propoxy]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

391
Patents

353.16272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.169996 184.2
[M+Na]+ 376.151938 190.2
[M-H]- 352.155444 190.8
[M+NH4]+ 371.196543 195.6
[M+K]+ 392.125878 186.7
[M+H-H2O]+ 336.159980 175.0
[M+HCOO]- 398.160921 204.4
[M+CH3COO]- 412.176571 215.3
[M+Na-2H]- 374.137386 189.0
[M]+ 353.16217142 188.0
[M]- 353.16326858 188.0
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.