CID 135454375

Nsc684977

Structural Information

Molecular Formula
C17H10N2O3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4C(=O)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/h1-9H,(H,18,19,20)
InChIKey
LSTGGMRIDCOATB-UHFFFAOYSA-N
Compound name
2-(2-oxochromen-3-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06915 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.076426 163.8
[M+Na]+ 313.058368 176.5
[M-H]- 289.061874 170.3
[M+NH4]+ 308.102973 176.6
[M+K]+ 329.032308 170.7
[M+H-H2O]+ 273.066410 153.9
[M+HCOO]- 335.067351 183.5
[M+CH3COO]- 349.083001 176.2
[M+Na-2H]- 311.043816 174.3
[M]+ 290.06860142 166.7
[M]- 290.06969858 166.7
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.