CID 626412

76286-84-5

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]+ 296.11421 166.9
[M+Na]+ 318.09615 183.9
[M+NH4]+ 313.14075 173.1
[M+K]+ 334.07009 180.9
[M-H]- 294.09965 168.2
[M+Na-2H]- 316.08160 173.3
[M]+ 295.10638 169.7
[M]- 295.10748 169.7
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.