CID 3055864

73013-19-1

Structural Information

Molecular Formula
C17H12Cl2N2O3
SMILES
CC(C(=O)O)N1C(=NC2=C(C1=O)C=C(C=C2Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H12Cl2N2O3/c1-9(17(23)24)21-15(10-5-3-2-4-6-10)20-14-12(16(21)22)7-11(18)8-13(14)19/h2-9H,1H3,(H,23,24)
InChIKey
HJBQZGBVVQOROQ-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxo-2-phenylquinazolin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0225 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02978 177.7
[M+Na]+ 385.01172 195.1
[M+NH4]+ 380.05632 185.0
[M+K]+ 400.98566 187.2
[M-H]- 361.01522 180.6
[M+Na-2H]- 382.99717 185.1
[M]+ 362.02195 181.7
[M]- 362.02305 181.7
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.