CID 54716270

Nsc649799

Structural Information

Molecular Formula
C20H16O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)CCC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C20H16O4/c21-15(11-10-14-6-2-1-3-7-14)12-13-17-19(22)16-8-4-5-9-18(16)24-20(17)23/h1-11,22H,12-13H2/b11-10+
InChIKey
QIBANWOLXDOINM-ZHACJKMWSA-N
Compound name
4-hydroxy-3-[(E)-3-oxo-5-phenylpent-4-enyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.5
[M+Na]+ 343.09408 181.6
[M-H]- 319.09758 180.6
[M+NH4]+ 338.13868 186.6
[M+K]+ 359.06802 177.2
[M+H-H2O]+ 303.10212 165.2
[M+HCOO]- 365.10306 193.5
[M+CH3COO]- 379.11871 205.2
[M+Na-2H]- 341.07953 178.5
[M]+ 320.10431 176.2
[M]- 320.10541 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.