CID 50989214

944902-70-9

Structural Information

Molecular Formula
C8H11N3O
SMILES
COC1=NC=NC2=C1CNCC2
InChI
InChI=1S/C8H11N3O/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h5,9H,2-4H2,1H3
InChIKey
FAQYDZRQALQEDF-UHFFFAOYSA-N
Compound name
4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

165.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 135.0
[M+Na]+ 188.07943 142.8
[M-H]- 164.08293 133.6
[M+NH4]+ 183.12403 151.8
[M+K]+ 204.05337 139.8
[M+H-H2O]+ 148.08747 126.9
[M+HCOO]- 210.08841 151.5
[M+CH3COO]- 224.10406 146.6
[M+Na-2H]- 186.06488 143.7
[M]+ 165.08966 131.9
[M]- 165.09076 131.9
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