CID 479412

Chembl33208

Structural Information

Molecular Formula
C17H20N6O3
SMILES
COC1=CC(=CC(=C1OC)OC)CNC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C17H20N6O3/c1-24-12-4-9(5-13(25-2)14(12)26-3)7-20-10-6-11-15(18)22-17(19)23-16(11)21-8-10/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
InChIKey
LMZPSINLCOITEI-UHFFFAOYSA-N
Compound name
6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

356.1597 Da
Monoisotopic Mass

1.5
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

patents stripe