CID 9999997

70381-75-8

Structural Information

Molecular Formula
C12H13Cl2N3O2
SMILES
CCOC(=O)CN1CC2=C(C=CC(=C2Cl)Cl)N=C1N
InChI
InChI=1S/C12H13Cl2N3O2/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14/h3-4H,2,5-6H2,1H3,(H2,15,16)
InChIKey
PLLYNUUCBINGLY-UHFFFAOYSA-N
Compound name
ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

301.03848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04576 162.6
[M+Na]+ 324.02770 176.6
[M+NH4]+ 319.07230 170.0
[M+K]+ 340.00164 169.5
[M-H]- 300.03120 163.9
[M+Na-2H]- 322.01315 167.3
[M]+ 301.03793 165.4
[M]- 301.03903 165.4
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

patents stripe