CID 6449194

4h-1-benzopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-6-phenyl-, (e)-

Structural Information

Molecular Formula
C24H20O4
SMILES
COC1=C(C=C(C=C1)/C=C/2\COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C24H20O4/c1-26-22-10-8-16(13-23(22)27-2)12-19-15-28-21-11-9-18(14-20(21)24(19)25)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3/b19-12+
InChIKey
VVOXVNLBKOLORI-XDHOZWIPSA-N
Compound name
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.13617 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.143446 189.8
[M+Na]+ 395.125388 197.5
[M-H]- 371.128894 200.9
[M+NH4]+ 390.169993 201.1
[M+K]+ 411.099328 193.3
[M+H-H2O]+ 355.133430 179.3
[M+HCOO]- 417.134371 208.8
[M+CH3COO]- 431.150021 200.3
[M+Na-2H]- 393.110836 192.8
[M]+ 372.13562142 191.9
[M]- 372.13671858 191.9
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.