CID 135435185

Chembl182991

Structural Information

Molecular Formula
C18H10Br2N4O
SMILES
C1=CC(=CC=C1C2=NC3=C(N=CNC3=O)N=C2C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C18H10Br2N4O/c19-12-5-1-10(2-6-12)14-15(11-3-7-13(20)8-4-11)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25)
InChIKey
FGSXIQMKIQSKBM-UHFFFAOYSA-N
Compound name
6,7-bis(4-bromophenyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.92215 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.92943 170.6
[M+Na]+ 478.91137 181.5
[M-H]- 454.91487 177.9
[M+NH4]+ 473.95597 180.4
[M+K]+ 494.88531 165.4
[M+H-H2O]+ 438.91941 176.9
[M+HCOO]- 500.92035 181.7
[M+CH3COO]- 514.93600 181.6
[M+Na-2H]- 476.89682 178.4
[M]+ 455.92160 203.8
[M]- 455.92270 203.8
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

No patent data available for this compound.