CID 696653

4-(4-oxoquinazolin-3(4h)-yl)benzoic acid

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H10N2O3/c18-14-12-3-1-2-4-13(12)16-9-17(14)11-7-5-10(6-8-11)15(19)20/h1-9H,(H,19,20)
InChIKey
GTGLPZFNBPATOL-UHFFFAOYSA-N
Compound name
4-(4-oxoquinazolin-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.06915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07643 157.8
[M+Na]+ 289.05837 174.0
[M+NH4]+ 284.10297 165.2
[M+K]+ 305.03231 167.0
[M-H]- 265.06187 160.9
[M+Na-2H]- 287.04382 166.6
[M]+ 266.06860 161.0
[M]- 266.06970 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.