CID 47003418

3-{4-chloro-5h,6h,7h-cyclopenta[d]pyrimidin-2-yl}pyridine

Structural Information

Molecular Formula
C12H10ClN3
SMILES
C1CC2=C(C1)N=C(N=C2Cl)C3=CN=CC=C3
InChI
InChI=1S/C12H10ClN3/c13-11-9-4-1-5-10(9)15-12(16-11)8-3-2-6-14-7-8/h2-3,6-7H,1,4-5H2
InChIKey
SCTJKAUVNFUNMG-UHFFFAOYSA-N
Compound name
4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05632 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06360 148.5
[M+Na]+ 254.04554 164.9
[M+NH4]+ 249.09014 158.2
[M+K]+ 270.01948 157.8
[M-H]- 230.04904 152.3
[M+Na-2H]- 252.03099 157.6
[M]+ 231.05577 152.3
[M]- 231.05687 152.3
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.

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No patent data available for this compound.