CID 3076366

Acetamide, 2-((4-hydroxy-7-methyl-5-oxo-5h-furo(3,2-g)(1)benzopyran-9-yl)oxy)-n-2-pyridinyl-

Structural Information

Molecular Formula
C19H14N2O6
SMILES
CC1=CC(=O)C2=C(O1)C(=C3C(=C2O)C=CO3)OCC(=O)NC4=CC=CC=N4
InChI
InChI=1S/C19H14N2O6/c1-10-8-12(22)15-16(24)11-5-7-25-17(11)19(18(15)27-10)26-9-14(23)21-13-4-2-3-6-20-13/h2-8,24H,9H2,1H3,(H,20,21,23)
InChIKey
ZWNYSBDYTJVSSH-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-7-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxy-N-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.08517 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.092446 181.7
[M+Na]+ 389.074388 192.3
[M-H]- 365.077894 190.6
[M+NH4]+ 384.118993 192.9
[M+K]+ 405.048328 190.6
[M+H-H2O]+ 349.082430 173.2
[M+HCOO]- 411.083371 202.5
[M+CH3COO]- 425.099021 193.5
[M+Na-2H]- 387.059836 188.0
[M]+ 366.08462142 189.8
[M]- 366.08571858 189.8
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.