CID 62389

6-benzylaminopurine

Structural Information

Molecular Formula
C12H11N5
SMILES
C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKey
NWBJYWHLCVSVIJ-UHFFFAOYSA-N
Compound name
N-benzyl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

837
References

43649
Patents

225.10144 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.108716 146.9
[M+Na]+ 248.090658 156.6
[M-H]- 224.094164 148.5
[M+NH4]+ 243.135263 161.3
[M+K]+ 264.064598 150.4
[M+H-H2O]+ 208.098700 137.0
[M+HCOO]- 270.099641 168.2
[M+CH3COO]- 284.115291 158.6
[M+Na-2H]- 246.076106 156.9
[M]+ 225.10089142 146.3
[M]- 225.10198858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe