CID 3066712

7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C25H20O5
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5CO5
InChI
InChI=1S/C25H20O5/c1-27-19-11-12-21-22(13-19)30-25(26)24(16-5-3-2-4-6-16)23(21)17-7-9-18(10-8-17)28-14-20-15-29-20/h2-13,20H,14-15H2,1H3
InChIKey
QIONRNLJAKNSBO-UHFFFAOYSA-N
Compound name
7-methoxy-4-[4-(oxiran-2-ylmethoxy)phenyl]-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.138346 192.9
[M+Na]+ 423.120288 203.4
[M-H]- 399.123794 208.3
[M+NH4]+ 418.164893 197.4
[M+K]+ 439.094228 201.4
[M+H-H2O]+ 383.128330 182.2
[M+HCOO]- 445.129271 213.6
[M+CH3COO]- 459.144921 203.8
[M+Na-2H]- 421.105736 198.0
[M]+ 400.13052142 201.5
[M]- 400.13161858 201.5
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.