CID 388291

Nsc682932

Structural Information

Molecular Formula
C30H25NO6
SMILES
COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC5=CC=CC=C5OC4=O
InChI
InChI=1S/C30H25NO6/c1-33-22-11-9-18(10-12-22)24-14-20(21-16-27(34-2)29(36-4)28(17-21)35-3)15-25(31-24)23-13-19-7-5-6-8-26(19)37-30(23)32/h5-17H,1-4H3
InChIKey
WWPDWKGWRGAPEM-UHFFFAOYSA-N
Compound name
3-[6-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.16818 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.17546 225.6
[M+Na]+ 518.15740 234.8
[M-H]- 494.16090 239.1
[M+NH4]+ 513.20200 230.0
[M+K]+ 534.13134 231.4
[M+H-H2O]+ 478.16544 211.1
[M+HCOO]- 540.16638 244.3
[M+CH3COO]- 554.18203 234.3
[M+Na-2H]- 516.14285 227.0
[M]+ 495.16763 234.1
[M]- 495.16873 234.1
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.