CID 165997086

9-(4-methoxypyrimidin-2-yl)-9h-purin-6-amine

Structural Information

Molecular Formula
C10H9N7O
SMILES
COC1=NC(=NC=C1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H9N7O/c1-18-6-2-3-12-10(16-6)17-5-15-7-8(11)13-4-14-9(7)17/h2-5H,1H3,(H2,11,13,14)
InChIKey
AAUKLIWPYPVJCQ-UHFFFAOYSA-N
Compound name
9-(4-methoxypyrimidin-2-yl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08685 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09413 153.7
[M+Na]+ 266.07607 166.5
[M-H]- 242.07957 154.7
[M+NH4]+ 261.12067 165.5
[M+K]+ 282.05001 161.0
[M+H-H2O]+ 226.08411 143.0
[M+HCOO]- 288.08505 173.7
[M+CH3COO]- 302.10070 165.5
[M+Na-2H]- 264.06152 162.3
[M]+ 243.08630 156.3
[M]- 243.08740 156.3
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.