CID 1099015

85592-04-7

Structural Information

Molecular Formula
C20H15N5O2
SMILES
CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C20H15N5O2/c1-23-17-16(18(26)22-20(23)27)24-12-15(13-8-4-2-5-9-13)25(19(24)21-17)14-10-6-3-7-11-14/h2-12H,1H3,(H,22,26,27)
InChIKey
GJQQXKRDHFWVRJ-UHFFFAOYSA-N
Compound name
4-methyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1226 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12988 183.4
[M+Na]+ 380.11182 202.2
[M+NH4]+ 375.15642 190.0
[M+K]+ 396.08576 197.7
[M-H]- 356.11532 187.5
[M+Na-2H]- 378.09727 192.5
[M]+ 357.12205 187.4
[M]- 357.12315 187.4
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.