CID 370222

Nsc642966

Structural Information

Molecular Formula
C22H21NO7
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3OC4C(C(C(C(O4)CO)O)O)O)C=C2
InChI
InChI=1S/C22H21NO7/c24-11-16-19(26)20(27)21(28)22(30-16)29-15-8-4-7-12-9-10-14(23-17(12)15)18(25)13-5-2-1-3-6-13/h1-10,16,19-22,24,26-28H,11H2
InChIKey
RVKGLPXTBFFCSC-UHFFFAOYSA-N
Compound name
phenyl-[8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyquinolin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1318 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13908 195.0
[M+Na]+ 434.12102 199.9
[M-H]- 410.12452 199.6
[M+NH4]+ 429.16562 200.2
[M+K]+ 450.09496 196.8
[M+H-H2O]+ 394.12906 184.9
[M+HCOO]- 456.13000 205.1
[M+CH3COO]- 470.14565 218.1
[M+Na-2H]- 432.10647 195.5
[M]+ 411.13125 193.6
[M]- 411.13235 193.6
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.