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]+ 204.00899 139.4
[M+Na]+ 225.99093 150.8
[M-H]- 201.99443 143.2
[M+NH4]+ 221.03553 152.1
[M+K]+ 241.96487 144.8
[M+H-H2O]+ 185.99897 132.3
[M+HCOO]- 247.99991 153.8
[M+CH3COO]- 262.01556 151.7
[M+Na-2H]- 223.97638 146.2
[M]+ 203.00116 142.9
[M]- 203.00226 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