CID 135435189

Chembl183800

Structural Information

Molecular Formula
C18H10Cl2N4O
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N=CNC3=O)N=C2C4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C18H10Cl2N4O/c19-12-7-3-1-5-10(12)14-15(11-6-2-4-8-13(11)20)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25)
InChIKey
WAEBYXJVNNZMOX-UHFFFAOYSA-N
Compound name
6,7-bis(2-chlorophenyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.02316 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03044 181.8
[M+Na]+ 391.01238 194.3
[M-H]- 367.01588 185.2
[M+NH4]+ 386.05698 190.0
[M+K]+ 406.98632 184.3
[M+H-H2O]+ 351.02042 170.0
[M+HCOO]- 413.02136 188.9
[M+CH3COO]- 427.03701 191.0
[M+Na-2H]- 388.99783 187.6
[M]+ 368.02261 184.3
[M]- 368.02371 184.3
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.