CID 105452526

2460756-95-8

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
COC1=NC(=NC2=C1CNCC2)Cl
InChI
InChI=1S/C8H10ClN3O/c1-13-7-5-4-10-3-2-6(5)11-8(9)12-7/h10H,2-4H2,1H3
InChIKey
XWGUVTRGAWJUKF-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05124 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 140.1
[M+Na]+ 222.04046 149.4
[M-H]- 198.04396 138.7
[M+NH4]+ 217.08506 156.6
[M+K]+ 238.01440 144.8
[M+H-H2O]+ 182.04850 132.6
[M+HCOO]- 244.04944 151.9
[M+CH3COO]- 258.06509 151.6
[M+Na-2H]- 220.02591 147.6
[M]+ 199.05069 139.2
[M]- 199.05179 139.2
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.