CID 6449195

Brn 3627541

Structural Information

Molecular Formula
C23H16O4
SMILES
C1/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C4=C(O1)C=CC(=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H16O4/c24-23-18(10-15-6-8-21-22(11-15)27-14-26-21)13-25-20-9-7-17(12-19(20)23)16-4-2-1-3-5-16/h1-12H,13-14H2/b18-10+
InChIKey
NCEJRZUGBNJWNH-VCHYOVAHSA-N
Compound name
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-6-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10486 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11214 181.9
[M+Na]+ 379.09408 198.9
[M+NH4]+ 374.13868 191.1
[M+K]+ 395.06802 192.1
[M-H]- 355.09758 193.1
[M+Na-2H]- 377.07953 188.9
[M]+ 356.10431 187.8
[M]- 356.10541 187.8
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.