CID 10932674

5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H9N3
SMILES
C1CNCC2=CN=CN=C21
InChI
InChI=1S/C7H9N3/c1-2-8-3-6-4-9-5-10-7(1)6/h4-5,8H,1-3H2
InChIKey
STXKJIIHKFGUCY-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

853
Patents

135.07965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 126.9
[M+Na]+ 158.068868 134.3
[M-H]- 134.072374 125.3
[M+NH4]+ 153.113473 144.7
[M+K]+ 174.042808 131.0
[M+H-H2O]+ 118.076910 119.0
[M+HCOO]- 180.077851 143.7
[M+CH3COO]- 194.093501 138.8
[M+Na-2H]- 156.054316 137.0
[M]+ 135.07910142 121.7
[M]- 135.08019858 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe