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 149.0
[M+Na]+ 250.10632 156.2
[M-H]- 226.10982 148.5
[M+NH4]+ 245.15092 162.4
[M+K]+ 266.08026 149.8
[M+H-H2O]+ 210.11436 139.2
[M+HCOO]- 272.11530 166.0
[M+CH3COO]- 286.13095 159.0
[M+Na-2H]- 248.09177 156.6
[M]+ 227.11655 143.8
[M]- 227.11765 143.8
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.