CID 388292

Nsc682933

Structural Information

Molecular Formula
C31H27NO6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)OC
InChI
InChI=1S/C31H27NO6/c1-18-13-28(33)38-30-22(18)11-12-25(34-2)29(30)24-15-20(14-23(32-24)19-9-7-6-8-10-19)21-16-26(35-3)31(37-5)27(17-21)36-4/h6-17H,1-5H3
InChIKey
RUEHFXYXGMVEPS-UHFFFAOYSA-N
Compound name
7-methoxy-4-methyl-8-[6-phenyl-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

509.18384 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.19112 230.8
[M+Na]+ 532.17306 240.3
[M-H]- 508.17656 244.5
[M+NH4]+ 527.21766 234.9
[M+K]+ 548.14700 236.9
[M+H-H2O]+ 492.18110 216.1
[M+HCOO]- 554.18204 249.0
[M+CH3COO]- 568.19769 239.3
[M+Na-2H]- 530.15851 230.8
[M]+ 509.18329 240.0
[M]- 509.18439 240.0
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.