CID 22958308

2-(1h-imidazol-1-yl)-1h-purin-6-amine

Structural Information

Molecular Formula
C8H7N7
SMILES
C1=CN(C=N1)C2=NC(=C3C(=N2)N=CN3)N
InChI
InChI=1S/C8H7N7/c9-6-5-7(12-3-11-5)14-8(13-6)15-2-1-10-4-15/h1-4H,(H3,9,11,12,13,14)
InChIKey
RTBQOOYHJRQSQU-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

201.0763 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083576 140.3
[M+Na]+ 224.065518 152.6
[M-H]- 200.069024 140.4
[M+NH4]+ 219.110123 154.9
[M+K]+ 240.039458 147.4
[M+H-H2O]+ 184.073560 130.5
[M+HCOO]- 246.074501 160.5
[M+CH3COO]- 260.090151 152.6
[M+Na-2H]- 222.050966 147.2
[M]+ 201.07575142 139.9
[M]- 201.07684858 139.9
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

patents stripe