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]+ 269.11723 160.1
[M+Na]+ 291.09917 169.4
[M-H]- 267.10267 168.0
[M+NH4]+ 286.14377 175.7
[M+K]+ 307.07311 165.7
[M+H-H2O]+ 251.10721 152.6
[M+HCOO]- 313.10815 183.9
[M+CH3COO]- 327.12380 197.0
[M+Na-2H]- 289.08462 165.3
[M]+ 268.10940 164.1
[M]- 268.11050 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.