CID 479281

Chembl33038

Structural Information

Molecular Formula
C15H16N6
SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C15H16N6/c1-21(9-10-5-3-2-4-6-10)11-7-12-13(16)19-15(17)20-14(12)18-8-11/h2-8H,9H2,1H3,(H4,16,17,18,19,20)
InChIKey
IHLXLTYMJGWSTD-UHFFFAOYSA-N
Compound name
6-N-benzyl-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.14365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15093 165.1
[M+Na]+ 303.13287 173.3
[M-H]- 279.13637 169.6
[M+NH4]+ 298.17747 177.3
[M+K]+ 319.10681 168.1
[M+H-H2O]+ 263.14091 154.5
[M+HCOO]- 325.14185 187.3
[M+CH3COO]- 339.15750 175.7
[M+Na-2H]- 301.11832 173.0
[M]+ 280.14310 163.4
[M]- 280.14420 163.4
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.