CID 80663785

9-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-9h-purin-6-amine

Structural Information

Molecular Formula
C11H10ClN7
SMILES
CC1=CC(=NC(=N1)CN2C=NC3=C(N=CN=C32)N)Cl
InChI
InChI=1S/C11H10ClN7/c1-6-2-7(12)18-8(17-6)3-19-5-16-9-10(13)14-4-15-11(9)19/h2,4-5H,3H2,1H3,(H2,13,14,15)
InChIKey
XLKVTYBBRQZTCK-UHFFFAOYSA-N
Compound name
9-[(4-chloro-6-methylpyrimidin-2-yl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.06863 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07591 161.9
[M+Na]+ 298.05785 175.6
[M-H]- 274.06135 162.4
[M+NH4]+ 293.10245 173.4
[M+K]+ 314.03179 168.2
[M+H-H2O]+ 258.06589 151.0
[M+HCOO]- 320.06683 176.4
[M+CH3COO]- 334.08248 173.0
[M+Na-2H]- 296.04330 168.3
[M]+ 275.06808 165.5
[M]- 275.06918 165.5
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

No patent data available for this compound.