CID 3053644

70203-80-4

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-11(17(21)22)19-15(12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16(19)20/h2-11H,1H3,(H,21,22)
InChIKey
ARZVXMOCIHLZNL-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 166.3
[M+Na]+ 317.089648 174.8
[M-H]- 293.093154 170.3
[M+NH4]+ 312.134253 178.8
[M+K]+ 333.063588 169.9
[M+H-H2O]+ 277.097690 157.0
[M+HCOO]- 339.098631 184.0
[M+CH3COO]- 353.114281 201.6
[M+Na-2H]- 315.075096 171.1
[M]+ 294.09988142 167.0
[M]- 294.10097858 167.0
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.