CID 54714080

Schembl8934490

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=CC=C(C=C1)OCCCC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H18O5/c1-22-13-8-10-14(11-9-13)23-12-4-6-16-18(20)15-5-2-3-7-17(15)24-19(16)21/h2-3,5,7-11,20H,4,6,12H2,1H3
InChIKey
WMLRETZLBUSGEV-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[3-(4-methoxyphenoxy)propyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.11542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.9
[M+Na]+ 349.10464 182.8
[M-H]- 325.10814 181.4
[M+NH4]+ 344.14924 187.1
[M+K]+ 365.07858 180.0
[M+H-H2O]+ 309.11268 165.3
[M+HCOO]- 371.11362 195.0
[M+CH3COO]- 385.12927 206.8
[M+Na-2H]- 347.09009 179.9
[M]+ 326.11487 180.2
[M]- 326.11597 180.2
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

patents stripe