CID 1789254

4-(4-methoxyphenyl)-8-methyl-7-(2-(2-naphthyl)-2-oxoethoxy)-2h-chromen-2-one

Structural Information

Molecular Formula
C29H22O5
SMILES
CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C29H22O5/c1-18-27(33-17-26(30)22-8-7-19-5-3-4-6-21(19)15-22)14-13-24-25(16-28(31)34-29(18)24)20-9-11-23(32-2)12-10-20/h3-16H,17H2,1-2H3
InChIKey
JSEIZYKARFXNLE-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.14673 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15401 211.7
[M+Na]+ 473.13595 221.0
[M-H]- 449.13945 224.2
[M+NH4]+ 468.18055 220.3
[M+K]+ 489.10989 216.8
[M+H-H2O]+ 433.14399 199.3
[M+HCOO]- 495.14493 231.2
[M+CH3COO]- 509.16058 221.4
[M+Na-2H]- 471.12140 215.5
[M]+ 450.14618 218.9
[M]- 450.14728 218.9
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.