CID 476038

Chembl138452

Structural Information

Molecular Formula
C16H18N6O3
SMILES
COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H18N6O3/c1-23-10-6-8(7-11(24-2)14(10)25-3)19-12-5-4-9-13(21-12)15(17)22-16(18)20-9/h4-7H,1-3H3,(H,19,21)(H4,17,18,20,22)
InChIKey
ZGISSIGZMRAJDI-UHFFFAOYSA-N
Compound name
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

2
References

0
Patents

342.14404 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15132 181.2
[M+Na]+ 365.13326 190.8
[M-H]- 341.13676 185.3
[M+NH4]+ 360.17786 190.7
[M+K]+ 381.10720 186.4
[M+H-H2O]+ 325.14130 170.5
[M+HCOO]- 387.14224 202.8
[M+CH3COO]- 401.15789 222.0
[M+Na-2H]- 363.11871 187.0
[M]+ 342.14349 183.9
[M]- 342.14459 183.9
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.