CID 476035

Chembl337603

Structural Information

Molecular Formula
C16H18N6O2
SMILES
CN(C1=CC(=C(C=C1)OC)OC)C2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H18N6O2/c1-22(9-4-6-11(23-2)12(8-9)24-3)13-7-5-10-14(20-13)15(17)21-16(18)19-10/h4-8H,1-3H3,(H4,17,18,19,21)
InChIKey
NEYWXHQYBGGVGI-UHFFFAOYSA-N
Compound name
6-N-(3,4-dimethoxyphenyl)-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1491 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15638 177.9
[M+Na]+ 349.13832 187.0
[M-H]- 325.14182 183.1
[M+NH4]+ 344.18292 188.6
[M+K]+ 365.11226 183.1
[M+H-H2O]+ 309.14636 167.1
[M+HCOO]- 371.14730 199.9
[M+CH3COO]- 385.16295 221.5
[M+Na-2H]- 347.12377 183.7
[M]+ 326.14855 180.0
[M]- 326.14965 180.0
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.