CID 6476409

4-methoxy-3-methyl-6-[(1e,3z)-4-phenylbuta-1,3-dienyl]pyran-2-one

Structural Information

Molecular Formula
C17H16O3
SMILES
CC1=C(C=C(OC1=O)/C=C/C=C\C2=CC=CC=C2)OC
InChI
InChI=1S/C17H16O3/c1-13-16(19-2)12-15(20-17(13)18)11-7-6-10-14-8-4-3-5-9-14/h3-12H,1-2H3/b10-6-,11-7+
InChIKey
LQJYKNXNYDMPDV-NAKBGQTNSA-N
Compound name
4-methoxy-3-methyl-6-[(1E,3Z)-4-phenylbuta-1,3-dienyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.117226 160.1
[M+Na]+ 291.099168 169.4
[M-H]- 267.102674 168.0
[M+NH4]+ 286.143773 175.7
[M+K]+ 307.073108 165.7
[M+H-H2O]+ 251.107210 152.6
[M+HCOO]- 313.108151 183.9
[M+CH3COO]- 327.123801 197.0
[M+Na-2H]- 289.084616 165.3
[M]+ 268.10940142 164.1
[M]- 268.11049858 164.1
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.