CID 456509

Chembl4643952

Structural Information

Molecular Formula
C17H20N6O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C17H20N6O3/c1-24-11-6-9(7-12(25-2)14(11)26-3)4-5-10-8-20-16-13(21-10)15(18)22-17(19)23-16/h6-8H,4-5H2,1-3H3,(H4,18,19,20,22,23)
InChIKey
FIWOPGKRFGDBPT-UHFFFAOYSA-N
Compound name
6-[2-(3,4,5-trimethoxyphenyl)ethyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.1597 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16698 188.3
[M+Na]+ 379.14892 198.2
[M-H]- 355.15242 190.8
[M+NH4]+ 374.19352 196.2
[M+K]+ 395.12286 193.0
[M+H-H2O]+ 339.15696 176.9
[M+HCOO]- 401.15790 207.0
[M+CH3COO]- 415.17355 222.3
[M+Na-2H]- 377.13437 192.8
[M]+ 356.15915 192.3
[M]- 356.16025 192.3
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.