CID 476036

Chembl141260

Structural Information

Molecular Formula
C15H16N6O2
SMILES
COC1=CC(=C(C=C1)OC)NC2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H16N6O2/c1-22-8-3-5-11(23-2)10(7-8)18-12-6-4-9-13(20-12)14(16)21-15(17)19-9/h3-7H,1-2H3,(H,18,20)(H4,16,17,19,21)
InChIKey
ZLLWSTDBZRDUAZ-UHFFFAOYSA-N
Compound name
6-N-(2,5-dimethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.13348 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14076 172.8
[M+Na]+ 335.12270 182.2
[M-H]- 311.12620 176.7
[M+NH4]+ 330.16730 183.4
[M+K]+ 351.09664 177.2
[M+H-H2O]+ 295.13074 162.3
[M+HCOO]- 357.13168 194.7
[M+CH3COO]- 371.14733 183.1
[M+Na-2H]- 333.10815 179.8
[M]+ 312.13293 173.4
[M]- 312.13403 173.4
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.