CID 5271883

9h-purine-2,6-diamine, n2-phenyl-

Structural Information

Molecular Formula
C11H10N6
SMILES
C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N=CN3)N
InChI
InChI=1S/C11H10N6/c12-9-8-10(14-6-13-8)17-11(16-9)15-7-4-2-1-3-5-7/h1-6H,(H4,12,13,14,15,16,17)
InChIKey
UZDUTNNGXUWATH-UHFFFAOYSA-N
Compound name
2-N-phenyl-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

226.0967 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10398 146.0
[M+Na]+ 249.08592 156.3
[M-H]- 225.08942 147.9
[M+NH4]+ 244.13052 160.2
[M+K]+ 265.05986 150.0
[M+H-H2O]+ 209.09396 136.5
[M+HCOO]- 271.09490 168.2
[M+CH3COO]- 285.11055 157.8
[M+Na-2H]- 247.07137 155.7
[M]+ 226.09615 144.1
[M]- 226.09725 144.1
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.