CID 736673

4,6-dichloro-2-phenylpyrimidin-5-amine

Structural Information

Molecular Formula
C10H7Cl2N3
SMILES
C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)N)Cl
InChI
InChI=1S/C10H7Cl2N3/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h1-5H,13H2
InChIKey
WYMSKTBVPZTMHU-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-phenylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

24
Patents

239.00171 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.008986 147.5
[M+Na]+ 261.990928 158.8
[M-H]- 237.994434 150.7
[M+NH4]+ 257.035533 163.5
[M+K]+ 277.964868 152.1
[M+H-H2O]+ 221.998970 140.2
[M+HCOO]- 283.999911 161.0
[M+CH3COO]- 298.015561 159.9
[M+Na-2H]- 259.976376 153.6
[M]+ 239.00116142 148.8
[M]- 239.00225858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe