CID 3077750

5h-1,2,4-triazolo(3,4-i)purin-5-one, 6,9-dihydro-3,6-diphenyl-9-methyl-

Structural Information

Molecular Formula
C19H14N6O
SMILES
CN1C=NC2=C1C3=NN=C(N3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C19H14N6O/c1-23-12-20-17-15(23)18-22-21-16(13-8-4-2-5-9-13)25(18)19(26)24(17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
DRHMGRRNLNWDMD-UHFFFAOYSA-N
Compound name
9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.1229 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13018 178.7
[M+Na]+ 365.11212 198.1
[M+NH4]+ 360.15672 185.7
[M+K]+ 381.08606 193.3
[M-H]- 341.11562 183.1
[M+Na-2H]- 363.09757 189.0
[M]+ 342.12235 182.9
[M]- 342.12345 182.9
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

patents stripe