CID 476034

Chembl141160

Structural Information

Molecular Formula
C15H16N6O
SMILES
CN(C1=CC=C(C=C1)OC)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H16N6O/c1-21(9-3-5-10(22-2)6-4-9)12-8-7-11-13(19-12)14(16)20-15(17)18-11/h3-8H,1-2H3,(H4,16,17,18,20)
InChIKey
FSHSYLTWZAFRLK-UHFFFAOYSA-N
Compound name
6-N-(4-methoxyphenyl)-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.13855 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14583 169.4
[M+Na]+ 319.12777 178.3
[M-H]- 295.13127 174.4
[M+NH4]+ 314.17237 181.2
[M+K]+ 335.10171 173.9
[M+H-H2O]+ 279.13581 158.8
[M+HCOO]- 341.13675 191.7
[M+CH3COO]- 355.15240 180.2
[M+Na-2H]- 317.11322 176.5
[M]+ 296.13800 169.5
[M]- 296.13910 169.5
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.