CID 29184118

869198-95-8

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

67
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 157.6
[M+Na]+ 273.13219 168.0
[M+NH4]+ 268.17679 163.6
[M+K]+ 289.10613 164.0
[M-H]- 249.13569 157.3
[M+Na-2H]- 271.11764 161.3
[M]+ 250.14242 158.7
[M]- 250.14352 158.7
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