CID 218592

Brn 0893244

Structural Information

Molecular Formula
C13H12Cl2N2O3
SMILES
CCOC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2Cl)Cl)C
InChI
InChI=1S/C13H12Cl2N2O3/c1-3-20-11(18)6-17-7(2)16-12-9(13(17)19)4-8(14)5-10(12)15/h4-5H,3,6H2,1-2H3
InChIKey
NCYTZCGBTBEVTP-UHFFFAOYSA-N
Compound name
ethyl 2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02978 162.3
[M+Na]+ 337.01172 175.1
[M-H]- 313.01522 164.4
[M+NH4]+ 332.05632 177.6
[M+K]+ 352.98566 169.5
[M+H-H2O]+ 297.01976 156.1
[M+HCOO]- 359.02070 173.0
[M+CH3COO]- 373.03635 204.9
[M+Na-2H]- 334.99717 165.9
[M]+ 314.02195 170.6
[M]- 314.02305 170.6
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.