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

19
Patents

265.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 163.7
[M+Na]+ 288.13186 171.0
[M-H]- 264.13536 163.8
[M+NH4]+ 283.17646 177.5
[M+K]+ 304.10580 169.3
[M+H-H2O]+ 248.13990 155.3
[M+HCOO]- 310.14084 178.1
[M+CH3COO]- 324.15649 196.6
[M+Na-2H]- 286.11731 169.3
[M]+ 265.14209 165.5
[M]- 265.14319 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