CID 447022

2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine

Structural Information

Molecular Formula
C17H20N6O2
SMILES
CN(CC1=CC(=CC(=C1)OC)OC)C2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChIKey
XWCCXDBXMCTZPW-UHFFFAOYSA-N
Compound name
6-N-[(3,5-dimethoxyphenyl)methyl]-6-N-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

340.16476 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17204 182.3
[M+Na]+ 363.15398 190.8
[M-H]- 339.15748 187.2
[M+NH4]+ 358.19858 192.3
[M+K]+ 379.12792 186.8
[M+H-H2O]+ 323.16202 171.2
[M+HCOO]- 385.16296 203.9
[M+CH3COO]- 399.17861 224.4
[M+Na-2H]- 361.13943 187.5
[M]+ 340.16421 184.7
[M]- 340.16531 184.7
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

patents stripe