CID 696653

4-(4-oxo-3,4-dihydroquinazolin-3-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 157.5
[M+Na]+ 289.05837 167.3
[M-H]- 265.06187 161.8
[M+NH4]+ 284.10297 171.3
[M+K]+ 305.03231 162.3
[M+H-H2O]+ 249.06641 148.4
[M+HCOO]- 311.06735 177.0
[M+CH3COO]- 325.08300 169.3
[M+Na-2H]- 287.04382 164.5
[M]+ 266.06860 158.1
[M]- 266.06970 158.1
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

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