CID 135435182

6,7-diphenylpteridin-4-ol

Structural Information

Molecular Formula
C18H12N4O
SMILES
C1=CC=C(C=C1)C2=NC3=C(N=CNC3=O)N=C2C4=CC=CC=C4
InChI
InChI=1S/C18H12N4O/c23-18-16-17(19-11-20-18)22-15(13-9-5-2-6-10-13)14(21-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23)
InChIKey
UMUYUDSQRKTBKA-UHFFFAOYSA-N
Compound name
6,7-diphenyl-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3
Patents

300.1011 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10838 171.8
[M+Na]+ 323.09032 181.8
[M-H]- 299.09382 175.9
[M+NH4]+ 318.13492 180.8
[M+K]+ 339.06426 173.1
[M+H-H2O]+ 283.09836 159.6
[M+HCOO]- 345.09930 188.7
[M+CH3COO]- 359.11495 181.5
[M+Na-2H]- 321.07577 180.5
[M]+ 300.10055 169.8
[M]- 300.10165 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe