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]+ 401.13835 192.9
[M+Na]+ 423.12029 203.4
[M-H]- 399.12379 208.3
[M+NH4]+ 418.16489 197.4
[M+K]+ 439.09423 201.4
[M+H-H2O]+ 383.12833 182.2
[M+HCOO]- 445.12927 213.6
[M+CH3COO]- 459.14492 203.8
[M+Na-2H]- 421.10574 198.0
[M]+ 400.13052 201.5
[M]- 400.13162 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.