CID 59308

7,8-dihydro-n-benzyladenine

Structural Information

Molecular Formula
C12H13N5
SMILES
C1NC2=C(N1)N=CN=C2NCC3=CC=CC=C3
InChI
InChI=1S/C12H13N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,8,14H,6-7H2,(H2,13,15,16,17)
InChIKey
VCFTZBXEGUKNCA-UHFFFAOYSA-N
Compound name
N-benzyl-8,9-dihydro-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1171 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 150.5
[M+Na]+ 250.10632 163.0
[M+NH4]+ 245.15092 157.8
[M+K]+ 266.08026 158.1
[M-H]- 226.10982 152.5
[M+Na-2H]- 248.09177 157.8
[M]+ 227.11655 152.6
[M]- 227.11765 152.6
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.