CID 3086787

8,9-dimethyl-7-phenyl-8h-imidazo(2,1-f)purinium iodide

Structural Information

Molecular Formula
C15H14N5
SMILES
CN1C(=CN2C1=[N+](C3=NC=NC=C32)C)C4=CC=CC=C4
InChI
InChI=1S/C15H14N5/c1-18-13(11-6-4-3-5-7-11)9-20-12-8-16-10-17-14(12)19(2)15(18)20/h3-10H,1-2H3/q+1
InChIKey
MUPFGUOWSMJIJM-UHFFFAOYSA-N
Compound name
5,6-dimethyl-7-phenylpurino[7,8-a]imidazol-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1249 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13218 162.6
[M+Na]+ 287.11412 176.6
[M-H]- 263.11762 167.1
[M+NH4]+ 282.15872 178.3
[M+K]+ 303.08806 164.8
[M+H-H2O]+ 247.12216 155.2
[M+HCOO]- 309.12310 183.3
[M+CH3COO]- 323.13875 175.2
[M+Na-2H]- 285.09957 170.8
[M]+ 264.12435 166.7
[M]- 264.12545 166.7
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.