CID 71029

N-phenyl-9h-purin-6-amine

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C11H9N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H2,12,13,14,15,16)
InChIKey
WCZNSRQVTJYMRQ-UHFFFAOYSA-N
Compound name
N-phenyl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

243
Patents

211.0858 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.093076 142.5
[M+Na]+ 234.075018 152.6
[M-H]- 210.078524 144.3
[M+NH4]+ 229.119623 157.4
[M+K]+ 250.048958 146.7
[M+H-H2O]+ 194.083060 132.8
[M+HCOO]- 256.084001 164.1
[M+CH3COO]- 270.099651 154.6
[M+Na-2H]- 232.060466 153.1
[M]+ 211.08525142 141.6
[M]- 211.08634858 141.6
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