CID 135435183

Chembl183058

Structural Information

Molecular Formula
C20H16N4O
SMILES
CC1=CC=C(C=C1)C2=NC3=C(N=CNC3=O)N=C2C4=CC=C(C=C4)C
InChI
InChI=1S/C20H16N4O/c1-12-3-7-14(8-4-12)16-17(15-9-5-13(2)6-10-15)24-19-18(23-16)20(25)22-11-21-19/h3-11H,1-2H3,(H,21,22,24,25)
InChIKey
HOBIVDAJNKFXCN-UHFFFAOYSA-N
Compound name
6,7-bis(4-methylphenyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.13242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 182.7
[M+Na]+ 351.12164 193.7
[M-H]- 327.12514 187.3
[M+NH4]+ 346.16624 191.2
[M+K]+ 367.09558 184.7
[M+H-H2O]+ 311.12968 170.5
[M+HCOO]- 373.13062 198.9
[M+CH3COO]- 387.14627 192.2
[M+Na-2H]- 349.10709 188.6
[M]+ 328.13187 182.3
[M]- 328.13297 182.3
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

No patent data available for this compound.