CID 10922018

4-chloro-5,6-dimethyl-2-(pyridin-4-yl)pyrimidine

Structural Information

Molecular Formula
C11H10ClN3
SMILES
CC1=C(N=C(N=C1Cl)C2=CC=NC=C2)C
InChI
InChI=1S/C11H10ClN3/c1-7-8(2)14-11(15-10(7)12)9-3-5-13-6-4-9/h3-6H,1-2H3
InChIKey
SVJUNAJRFDNUHF-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-pyridin-4-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

219.05632 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06360 145.8
[M+Na]+ 242.04554 157.3
[M-H]- 218.04904 148.8
[M+NH4]+ 237.09014 161.4
[M+K]+ 258.01948 151.7
[M+H-H2O]+ 202.05358 137.1
[M+HCOO]- 264.05452 162.3
[M+CH3COO]- 278.07017 158.6
[M+Na-2H]- 240.03099 152.8
[M]+ 219.05577 148.3
[M]- 219.05687 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.