CID 476044

Chembl138252

Structural Information

Molecular Formula
C13H11ClN6
SMILES
C1=CC(=CC=C1NC2=NC3=C(C=C2)N=C(N=C3N)N)Cl
InChI
InChI=1S/C13H11ClN6/c14-7-1-3-8(4-2-7)17-10-6-5-9-11(19-10)12(15)20-13(16)18-9/h1-6H,(H,17,19)(H4,15,16,18,20)
InChIKey
HJRUOZFNPQVNSF-UHFFFAOYSA-N
Compound name
6-N-(4-chlorophenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.07336 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08064 163.4
[M+Na]+ 309.06258 174.0
[M-H]- 285.06608 166.8
[M+NH4]+ 304.10718 175.9
[M+K]+ 325.03652 166.6
[M+H-H2O]+ 269.07062 154.1
[M+HCOO]- 331.07156 181.1
[M+CH3COO]- 345.08721 174.3
[M+Na-2H]- 307.04803 171.7
[M]+ 286.07281 162.5
[M]- 286.07391 162.5
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

No patent data available for this compound.