CID 25418283

Schembl12495467

Structural Information

Molecular Formula
C7H9Cl2N3
SMILES
CCCC1=C(N=C(N=C1Cl)N)Cl
InChI
InChI=1S/C7H9Cl2N3/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3,(H2,10,11,12)
InChIKey
UMCVUZJGRZJJQZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-propylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

205.01735 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02463 140.0
[M+Na]+ 228.00657 151.1
[M-H]- 204.01007 140.1
[M+NH4]+ 223.05117 157.7
[M+K]+ 243.98051 145.7
[M+H-H2O]+ 188.01461 134.3
[M+HCOO]- 250.01555 153.0
[M+CH3COO]- 264.03120 186.8
[M+Na-2H]- 225.99202 145.0
[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