CID 49758029

900156-22-1

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

18
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 161.6
[M+Na]+ 288.13186 172.9
[M+NH4]+ 283.17646 167.5
[M+K]+ 304.10580 168.4
[M-H]- 264.13536 160.6
[M+Na-2H]- 286.11731 165.3
[M]+ 265.14209 162.7
[M]- 265.14319 162.7
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