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 158.9
[M+Na]+ 303.05068 174.3
[M+NH4]+ 298.09528 166.0
[M+K]+ 319.02462 167.3
[M-H]- 279.05418 159.8
[M+Na-2H]- 301.03613 164.5
[M]+ 280.06091 161.6
[M]- 280.06201 161.6
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.