CID 476039

Chembl139485

Structural Information

Molecular Formula
C17H20N6O3
SMILES
CN(C1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C17H20N6O3/c1-23(9-7-11(24-2)15(26-4)12(8-9)25-3)13-6-5-10-14(21-13)16(18)22-17(19)20-10/h5-8H,1-4H3,(H4,18,19,20,22)
InChIKey
YGPLIGVCDZHBTH-UHFFFAOYSA-N
Compound name
6-N-methyl-6-N-(3,4,5-trimethoxyphenyl)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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16698 186.2
[M+Na]+ 379.14892 195.4
[M-H]- 355.15242 191.5
[M+NH4]+ 374.19352 195.7
[M+K]+ 395.12286 192.2
[M+H-H2O]+ 339.15696 175.1
[M+HCOO]- 401.15790 207.9
[M+CH3COO]- 415.17355 228.0
[M+Na-2H]- 377.13437 190.7
[M]+ 356.15915 190.4
[M]- 356.16025 190.4
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.