CID 12271634

4-chloropyrido[3,4-d]pyrimidine

Structural Information

Molecular Formula
C7H4ClN3
SMILES
C1=CN=CC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H4ClN3/c8-7-5-1-2-9-3-6(5)10-4-11-7/h1-4H
InChIKey
UKTHPAHJCQLABU-UHFFFAOYSA-N
Compound name
4-chloropyrido[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

165.00937 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.01665 128.2
[M+Na]+ 187.99859 139.6
[M-H]- 164.00209 128.7
[M+NH4]+ 183.04319 146.7
[M+K]+ 203.97253 135.2
[M+H-H2O]+ 148.00663 120.6
[M+HCOO]- 210.00757 144.5
[M+CH3COO]- 224.02322 141.8
[M+Na-2H]- 185.98404 139.7
[M]+ 165.00882 129.8
[M]- 165.00992 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

literature stripe

Patent stripe

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