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]+ 311.12778 171.1
[M+Na]+ 333.10972 179.8
[M-H]- 309.11322 178.6
[M+NH4]+ 328.15432 185.0
[M+K]+ 349.08366 176.9
[M+H-H2O]+ 293.11776 162.9
[M+HCOO]- 355.11870 190.9
[M+CH3COO]- 369.13435 205.6
[M+Na-2H]- 331.09517 175.8
[M]+ 310.11995 175.3
[M]- 310.12105 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.