CID 54736485

Db08663

Structural Information

Molecular Formula
C19H18O4
SMILES
CC[C@@H](C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)OC)OC2=O)O
InChI
InChI=1S/C19H18O4/c1-3-14(12-7-5-4-6-8-12)17-18(20)15-10-9-13(22-2)11-16(15)23-19(17)21/h4-11,14,20H,3H2,1-2H3/t14-/m0/s1
InChIKey
CCPGCKQLIHGSCJ-AWEZNQCLSA-N
Compound name
4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.127776 171.1
[M+Na]+ 333.109718 179.8
[M-H]- 309.113224 178.6
[M+NH4]+ 328.154323 185.0
[M+K]+ 349.083658 176.9
[M+H-H2O]+ 293.117760 162.9
[M+HCOO]- 355.118701 190.9
[M+CH3COO]- 369.134351 205.6
[M+Na-2H]- 331.095166 175.8
[M]+ 310.11995142 175.3
[M]- 310.12104858 175.3
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.