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 182.4
[M+Na]+ 379.09408 190.6
[M-H]- 355.09758 195.7
[M+NH4]+ 374.13868 194.3
[M+K]+ 395.06802 188.0
[M+H-H2O]+ 339.10212 174.1
[M+HCOO]- 401.10306 199.1
[M+CH3COO]- 415.11871 193.6
[M+Na-2H]- 377.07953 186.4
[M]+ 356.10431 183.3
[M]- 356.10541 183.3
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.