CID 129414256

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

Structural Information

Molecular Formula
C7H7Cl2N3
SMILES
C1CC1NC2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C7H7Cl2N3/c8-5-3-6(9)12-7(11-5)10-4-1-2-4/h3-4H,1-2H2,(H,10,11,12)
InChIKey
PSQRJHBCMKZLQW-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-cyclopropylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.00171 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.008986 139.4
[M+Na]+ 225.990928 150.8
[M-H]- 201.994434 143.2
[M+NH4]+ 221.035533 152.1
[M+K]+ 241.964868 144.8
[M+H-H2O]+ 185.998970 132.3
[M+HCOO]- 247.999911 153.8
[M+CH3COO]- 262.015561 151.7
[M+Na-2H]- 223.976376 146.2
[M]+ 203.00116142 142.9
[M]- 203.00225858 142.9
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