CID 115649780

2-(methoxymethyl)-5h,6h,7h,8h-pyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C9H13N3O
SMILES
COCC1=NC=C2CNCCC2=N1
InChI
InChI=1S/C9H13N3O/c1-13-6-9-11-5-7-4-10-3-2-8(7)12-9/h5,10H,2-4,6H2,1H3
InChIKey
WPQXVOVMAFZVRM-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.5
[M+Na]+ 202.09509 146.8
[M-H]- 178.09859 137.9
[M+NH4]+ 197.13969 155.7
[M+K]+ 218.06903 143.6
[M+H-H2O]+ 162.10313 131.2
[M+HCOO]- 224.10407 155.7
[M+CH3COO]- 238.11972 150.6
[M+Na-2H]- 200.08054 147.7
[M]+ 179.10532 136.7
[M]- 179.10642 136.7
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

No patent data available for this compound.