CID 63611388

9-[(3,5-dimethylphenyl)methyl]-9h-purin-6-amine

Structural Information

Molecular Formula
C14H15N5
SMILES
CC1=CC(=CC(=C1)CN2C=NC3=C(N=CN=C32)N)C
InChI
InChI=1S/C14H15N5/c1-9-3-10(2)5-11(4-9)6-19-8-18-12-13(15)16-7-17-14(12)19/h3-5,7-8H,6H2,1-2H3,(H2,15,16,17)
InChIKey
YKWWCXRVPZWQFS-UHFFFAOYSA-N
Compound name
9-[(3,5-dimethylphenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13275 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 158.0
[M+Na]+ 276.12197 173.8
[M+NH4]+ 271.16657 165.6
[M+K]+ 292.09591 168.2
[M-H]- 252.12547 161.4
[M+Na-2H]- 274.10742 166.5
[M]+ 253.13220 161.3
[M]- 253.13330 161.3
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.