CID 44257226

Nordurlettone

Structural Information

Molecular Formula
C20H18O4
SMILES
CC(=CCOC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)C
InChI
InChI=1S/C20H18O4/c1-13(2)9-10-23-16-6-3-14(4-7-16)18-12-24-19-11-15(21)5-8-17(19)20(18)22/h3-9,11-12,21H,10H2,1-2H3
InChIKey
MGGDNAFTNJHURM-UHFFFAOYSA-N
Compound name
7-hydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.7
[M+Na]+ 345.10972 183.4
[M-H]- 321.11322 182.2
[M+NH4]+ 340.15432 188.1
[M+K]+ 361.08366 179.7
[M+H-H2O]+ 305.11776 166.5
[M+HCOO]- 367.11870 194.5
[M+CH3COO]- 381.13435 207.2
[M+Na-2H]- 343.09517 178.9
[M]+ 322.11995 178.5
[M]- 322.12105 178.5
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.