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 185.0
[M+Na]+ 380.11182 199.6
[M-H]- 356.11532 191.9
[M+NH4]+ 375.15642 196.1
[M+K]+ 396.08576 190.7
[M+H-H2O]+ 340.11986 174.4
[M+HCOO]- 402.12080 204.5
[M+CH3COO]- 416.13645 196.2
[M+Na-2H]- 378.09727 188.1
[M]+ 357.12205 189.8
[M]- 357.12315 189.8
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.