CID 3693845

Durlettone

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(=CCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC)C
InChI
InChI=1S/C21H20O4/c1-14(2)10-11-24-16-6-4-15(5-7-16)19-13-25-20-12-17(23-3)8-9-18(20)21(19)22/h4-10,12-13H,11H2,1-3H3
InChIKey
HVGQBDGAJOAKIO-UHFFFAOYSA-N
Compound name
7-methoxy-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 179.2
[M+Na]+ 359.12539 187.9
[M-H]- 335.12889 187.8
[M+NH4]+ 354.16999 192.7
[M+K]+ 375.09933 184.8
[M+H-H2O]+ 319.13343 170.4
[M+HCOO]- 381.13437 200.1
[M+CH3COO]- 395.15002 212.5
[M+Na-2H]- 357.11084 183.2
[M]+ 336.13562 185.1
[M]- 336.13672 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.