CID 15338432

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

Structural Information

Molecular Formula
C7H9Cl2N3
SMILES
CCCNC1=CC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C7H9Cl2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKey
IANUGQINIJIROT-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.01735 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02463 139.3
[M+Na]+ 228.00657 149.5
[M-H]- 204.01007 139.6
[M+NH4]+ 223.05117 157.0
[M+K]+ 243.98051 144.5
[M+H-H2O]+ 188.01461 133.2
[M+HCOO]- 250.01555 152.9
[M+CH3COO]- 264.03120 186.3
[M+Na-2H]- 225.99202 146.2
[M]+ 205.01680 142.1
[M]- 205.01790 142.1
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

patents stripe