CID 218586

40889-45-0

Structural Information

Molecular Formula
C13H13ClN2O3
SMILES
CCOC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)Cl)C
InChI
InChI=1S/C13H13ClN2O3/c1-3-19-12(17)7-16-8(2)15-11-5-4-9(14)6-10(11)13(16)18/h4-6H,3,7H2,1-2H3
InChIKey
JBXJYVVHWZCMMN-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 158.1
[M+Na]+ 303.05068 169.8
[M-H]- 279.05418 160.6
[M+NH4]+ 298.09528 174.0
[M+K]+ 319.02462 165.1
[M+H-H2O]+ 263.05872 151.0
[M+HCOO]- 325.05966 173.9
[M+CH3COO]- 339.07531 199.3
[M+Na-2H]- 301.03613 163.1
[M]+ 280.06091 165.0
[M]- 280.06201 165.0
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.