CID 75487617

1395079-01-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.14297 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 160.7
[M+Na]+ 273.13219 167.8
[M-H]- 249.13569 160.5
[M+NH4]+ 268.17679 174.6
[M+K]+ 289.10613 165.3
[M+H-H2O]+ 233.14023 152.5
[M+HCOO]- 295.14117 175.7
[M+CH3COO]- 309.15682 195.9
[M+Na-2H]- 271.11764 166.2
[M]+ 250.14242 159.0
[M]- 250.14352 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