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]+ 200.058516 140.1
[M+Na]+ 222.040458 149.4
[M-H]- 198.043964 138.7
[M+NH4]+ 217.085063 156.6
[M+K]+ 238.014398 144.8
[M+H-H2O]+ 182.048500 132.6
[M+HCOO]- 244.049441 151.9
[M+CH3COO]- 258.065091 151.6
[M+Na-2H]- 220.025906 147.6
[M]+ 199.05069142 139.2
[M]- 199.05178858 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.