CID 626412

1h-imidazo(2,1-f)purine-2,4(3h,8h)-dione, 1,8-dimethyl-7-phenyl-

Structural Information

Molecular Formula
C15H13N5O2
SMILES
CN1C(=CN2C1=NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4
InChI
InChI=1S/C15H13N5O2/c1-18-10(9-6-4-3-5-7-9)8-20-11-12(16-14(18)20)19(2)15(22)17-13(11)21/h3-8H,1-2H3,(H,17,21,22)
InChIKey
YACVCCVBWTVJCR-UHFFFAOYSA-N
Compound name
4,6-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10693 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.114206 168.4
[M+Na]+ 318.096148 184.3
[M-H]- 294.099654 172.4
[M+NH4]+ 313.140753 182.8
[M+K]+ 334.070088 177.0
[M+H-H2O]+ 278.104190 159.5
[M+HCOO]- 340.105131 188.6
[M+CH3COO]- 354.120781 181.0
[M+Na-2H]- 316.081596 172.1
[M]+ 295.10638142 174.4
[M]- 295.10747858 174.4
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.