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]+ 291.07643 163.8
[M+Na]+ 313.05837 176.5
[M-H]- 289.06187 170.3
[M+NH4]+ 308.10297 176.6
[M+K]+ 329.03231 170.7
[M+H-H2O]+ 273.06641 153.9
[M+HCOO]- 335.06735 183.5
[M+CH3COO]- 349.08300 176.2
[M+Na-2H]- 311.04382 174.3
[M]+ 290.06860 166.7
[M]- 290.06970 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.