CID 9999997

Ethyl 2-(2-amino-5,6-dichloro-4h-quinazolin-3-yl)acetate;hydrobromide

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

31
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 163.3
[M+Na]+ 324.02770 173.6
[M-H]- 300.03120 164.2
[M+NH4]+ 319.07230 178.3
[M+K]+ 340.00164 168.0
[M+H-H2O]+ 284.03574 156.9
[M+HCOO]- 346.03668 173.0
[M+CH3COO]- 360.05233 204.1
[M+Na-2H]- 322.01315 166.4
[M]+ 301.03793 167.1
[M]- 301.03903 167.1
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