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 174.7
[M+Na]+ 385.01172 186.1
[M-H]- 361.01522 178.5
[M+NH4]+ 380.05632 186.6
[M+K]+ 400.98566 179.1
[M+H-H2O]+ 345.01976 167.0
[M+HCOO]- 407.02070 182.9
[M+CH3COO]- 421.03635 185.2
[M+Na-2H]- 382.99717 177.2
[M]+ 362.02195 180.0
[M]- 362.02305 180.0
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.