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

literature stripe

Patent stripe

patents stripe