CID 29184118

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

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)N
InChI
InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)6-14-10(13)15-9/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKey
PGNLVGKPNUNOJE-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

250.14297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.150246 160.7
[M+Na]+ 273.132188 167.8
[M-H]- 249.135694 160.5
[M+NH4]+ 268.176793 174.6
[M+K]+ 289.106128 165.3
[M+H-H2O]+ 233.140230 152.5
[M+HCOO]- 295.141171 175.7
[M+CH3COO]- 309.156821 195.9
[M+Na-2H]- 271.117636 166.2
[M]+ 250.14242142 159.0
[M]- 250.14351858 159.0
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