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

387
Patents

353.16272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.2
[M+Na]+ 376.15194 190.2
[M-H]- 352.15544 190.8
[M+NH4]+ 371.19654 195.6
[M+K]+ 392.12588 186.7
[M+H-H2O]+ 336.15998 175.0
[M+HCOO]- 398.16092 204.4
[M+CH3COO]- 412.17657 215.3
[M+Na-2H]- 374.13739 189.0
[M]+ 353.16217 188.0
[M]- 353.16327 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.