CID 55265596

5-chloropyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H4ClN3
SMILES
C1=CN=C(C2=CN=CN=C21)Cl
InChI
InChI=1S/C7H4ClN3/c8-7-5-3-9-4-11-6(5)1-2-10-7/h1-4H
InChIKey
OTHUFSVOMPTEOK-UHFFFAOYSA-N
Compound name
5-chloropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.00937 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.016646 128.2
[M+Na]+ 187.998588 139.6
[M-H]- 164.002094 128.7
[M+NH4]+ 183.043193 146.7
[M+K]+ 203.972528 135.2
[M+H-H2O]+ 148.006630 120.6
[M+HCOO]- 210.007571 144.5
[M+CH3COO]- 224.023221 141.8
[M+Na-2H]- 185.984036 139.7
[M]+ 165.00882142 129.8
[M]- 165.00991858 129.8
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.