CID 5357444

5219-18-1

Structural Information

Molecular Formula
C19H18O4
SMILES
CCCC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18O4/c1-3-4-16-15-10-7-13(20)11-17(15)23-19(21)18(16)12-5-8-14(22-2)9-6-12/h5-11,20H,3-4H2,1-2H3
InChIKey
FEMYLSRAIUUCNB-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-methoxyphenyl)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 171.1
[M+Na]+ 333.10972 181.1
[M-H]- 309.11322 179.0
[M+NH4]+ 328.15432 185.4
[M+K]+ 349.08366 177.7
[M+H-H2O]+ 293.11776 162.9
[M+HCOO]- 355.11870 191.9
[M+CH3COO]- 369.13435 205.9
[M+Na-2H]- 331.09517 176.3
[M]+ 310.11995 176.3
[M]- 310.12105 176.4
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.