CID 49758029

Tert-butyl 2-methoxy-5h,6h,7h,8h-pyrido[4,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)OC
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-6-5-10-9(8-16)7-14-11(15-10)18-4/h7H,5-6,8H2,1-4H3
InChIKey
ZCQWTDGQUOIOEF-UHFFFAOYSA-N
Compound name
tert-butyl 2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

265.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.149916 163.7
[M+Na]+ 288.131858 171.0
[M-H]- 264.135364 163.8
[M+NH4]+ 283.176463 177.5
[M+K]+ 304.105798 169.3
[M+H-H2O]+ 248.139900 155.3
[M+HCOO]- 310.140841 178.1
[M+CH3COO]- 324.156491 196.6
[M+Na-2H]- 286.117306 169.3
[M]+ 265.14209142 165.5
[M]- 265.14318858 165.5
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