CID 62469538

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

Structural Information

Molecular Formula
C11H9ClN6
SMILES
C1=CN=C(C=C1CN2C=NC3=C(N=CN=C32)N)Cl
InChI
InChI=1S/C11H9ClN6/c12-8-3-7(1-2-14-8)4-18-6-17-9-10(13)15-5-16-11(9)18/h1-3,5-6H,4H2,(H2,13,15,16)
InChIKey
DFRCAPZPAQOFCG-UHFFFAOYSA-N
Compound name
9-[(2-chloropyridin-4-yl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0577 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06498 155.8
[M+Na]+ 283.04692 168.7
[M-H]- 259.05042 157.3
[M+NH4]+ 278.09152 169.1
[M+K]+ 299.02086 161.6
[M+H-H2O]+ 243.05496 145.3
[M+HCOO]- 305.05590 171.8
[M+CH3COO]- 319.07155 167.5
[M+Na-2H]- 281.03237 163.2
[M]+ 260.05715 158.7
[M]- 260.05825 158.7
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.