CID 476046

Chembl141808

Structural Information

Molecular Formula
C17H20N6O3
SMILES
COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C17H20N6O3/c1-24-11-6-9(7-12(25-2)15(11)26-3)8-20-13-5-4-10-14(22-13)16(18)23-17(19)21-10/h4-7H,8H2,1-3H3,(H,20,22)(H4,18,19,21,23)
InChIKey
PSSLUZRUBJMOPG-UHFFFAOYSA-N
Compound name
6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.1597 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16698 185.5
[M+Na]+ 379.14892 194.5
[M-H]- 355.15242 189.4
[M+NH4]+ 374.19352 194.4
[M+K]+ 395.12286 190.0
[M+H-H2O]+ 339.15696 174.5
[M+HCOO]- 401.15790 206.7
[M+CH3COO]- 415.17355 224.9
[M+Na-2H]- 377.13437 190.7
[M]+ 356.15915 188.5
[M]- 356.16025 188.5
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.