CID 360914

Nsc623629

Structural Information

Molecular Formula
C23H19NO6
SMILES
COC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=C(C(=O)C=C(O4)CO)O
InChI
InChI=1S/C23H19NO6/c1-29-15-7-4-13(5-8-15)19(23-22(28)18(26)11-16(12-25)30-23)17-9-6-14-3-2-10-24-20(14)21(17)27/h2-11,19,25,27-28H,12H2,1H3
InChIKey
QTRUWRVRFHZAOP-UHFFFAOYSA-N
Compound name
3-hydroxy-6-(hydroxymethyl)-2-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.12125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12853 195.9
[M+Na]+ 428.11047 204.0
[M-H]- 404.11397 202.8
[M+NH4]+ 423.15507 202.4
[M+K]+ 444.08441 200.2
[M+H-H2O]+ 388.11851 185.2
[M+HCOO]- 450.11945 211.1
[M+CH3COO]- 464.13510 204.7
[M+Na-2H]- 426.09592 198.6
[M]+ 405.12070 199.1
[M]- 405.12180 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.