CID 5281575

Yangonin

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC
InChI
InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+
InChIKey
XLHIYUYCSMZCCC-VMPITWQZSA-N
Compound name
4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

39
References

1135
Patents

258.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 155.0
[M+Na]+ 281.07842 164.6
[M-H]- 257.08192 163.2
[M+NH4]+ 276.12302 170.9
[M+K]+ 297.05236 162.7
[M+H-H2O]+ 241.08646 147.5
[M+HCOO]- 303.08740 179.5
[M+CH3COO]- 317.10305 194.6
[M+Na-2H]- 279.06387 161.4
[M]+ 258.08865 160.6
[M]- 258.08975 160.6
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

patents stripe