CID 17998716

635698-56-5

Structural Information

Molecular Formula
C12H15Cl2N3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-5-4-8-7(6-17)9(13)16-10(14)15-8/h4-6H2,1-3H3
InChIKey
YPTQBCCFRRAECZ-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

303.05414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06142 165.5
[M+Na]+ 326.04336 175.2
[M-H]- 302.04686 165.3
[M+NH4]+ 321.08796 179.4
[M+K]+ 342.01730 170.5
[M+H-H2O]+ 286.05140 158.4
[M+HCOO]- 348.05234 170.3
[M+CH3COO]- 362.06799 200.8
[M+Na-2H]- 324.02881 169.7
[M]+ 303.05359 168.7
[M]- 303.05469 168.7
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