CID 15438693

2,6-dichloro-n,n-dimethylpyrimidin-4-amine

Structural Information

Molecular Formula
C6H7Cl2N3
SMILES
CN(C)C1=CC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C6H7Cl2N3/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3
InChIKey
LXVKMWBQSJTIPX-UHFFFAOYSA-N
Compound name
2,6-dichloro-N,N-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

191.00171 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00899 134.0
[M+Na]+ 213.99093 144.8
[M-H]- 189.99443 136.0
[M+NH4]+ 209.03553 152.9
[M+K]+ 229.96487 141.3
[M+H-H2O]+ 173.99897 127.9
[M+HCOO]- 235.99991 148.5
[M+CH3COO]- 250.01556 186.8
[M+Na-2H]- 211.97638 140.7
[M]+ 191.00116 137.7
[M]- 191.00226 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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