CID 619286

8h-imidazo(2,1-f)purine, 8-methyl-7-phenyl-

Structural Information

Molecular Formula
C14H11N5
SMILES
CN1C(=CN2C1=NC3=NC=NC=C32)C4=CC=CC=C4
InChI
InChI=1S/C14H11N5/c1-18-12(10-5-3-2-4-6-10)8-19-11-7-15-9-16-13(11)17-14(18)19/h2-9H,1H3
InChIKey
HZFPKSPTKNKUGM-UHFFFAOYSA-N
Compound name
6-methyl-7-phenylpurino[7,8-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10144 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10872 155.4
[M+Na]+ 272.09066 169.5
[M-H]- 248.09416 159.5
[M+NH4]+ 267.13526 171.8
[M+K]+ 288.06460 163.2
[M+H-H2O]+ 232.09870 145.4
[M+HCOO]- 294.09964 176.9
[M+CH3COO]- 308.11529 168.5
[M+Na-2H]- 270.07611 162.4
[M]+ 249.10089 160.2
[M]- 249.10199 160.2
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.