CID 6476411

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

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC=C(C=C1)/C=C\C=C\C2=CC(=CC(=O)O2)OC
InChI
InChI=1S/C17H16O4/c1-19-14-9-7-13(8-10-14)5-3-4-6-15-11-16(20-2)12-17(18)21-15/h3-12H,1-2H3/b5-3-,6-4+
InChIKey
XSBSHSABOSMTDC-CIIODKQPSA-N
Compound name
4-methoxy-6-[(1E,3Z)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.4
[M+Na]+ 307.09408 172.4
[M-H]- 283.09758 171.2
[M+NH4]+ 302.13868 178.2
[M+K]+ 323.06802 169.4
[M+H-H2O]+ 267.10212 155.5
[M+HCOO]- 329.10306 187.3
[M+CH3COO]- 343.11871 199.2
[M+Na-2H]- 305.07953 168.6
[M]+ 284.10431 168.8
[M]- 284.10541 168.8
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.