CID 78179602

2-(2-oxo-2h-chromen-3-yl)-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C17H10N2O3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=O)C4C=CC=CC4=N3
InChI
InChI=1S/C17H10N2O3/c20-16-11-6-2-3-7-13(11)18-15(19-16)12-9-10-5-1-4-8-14(10)22-17(12)21/h1-9,11H
InChIKey
XWLYKRKYUUIFMU-UHFFFAOYSA-N
Compound name
2-(2-oxochromen-3-yl)-4aH-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.076426 164.3
[M+Na]+ 313.058368 175.4
[M-H]- 289.061874 171.3
[M+NH4]+ 308.102973 177.5
[M+K]+ 329.032308 170.8
[M+H-H2O]+ 273.066410 153.9
[M+HCOO]- 335.067351 182.7
[M+CH3COO]- 349.083001 176.3
[M+Na-2H]- 311.043816 173.3
[M]+ 290.06860142 166.1
[M]- 290.06969858 166.1
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.