CID 457354

Chembl283518

Structural Information

Molecular Formula
C17H20N6O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=C(C=C3)OC)OC)N)N
InChI
InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-5-12(24-2)13(6-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
InChIKey
XQDLUHGBAGRVFK-UHFFFAOYSA-N
Compound name
6-[(3,4-dimethoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

340.16476 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17204 183.3
[M+Na]+ 363.15398 192.7
[M-H]- 339.15748 187.2
[M+NH4]+ 358.19858 193.1
[M+K]+ 379.12792 187.3
[M+H-H2O]+ 323.16202 172.6
[M+HCOO]- 385.16296 204.4
[M+CH3COO]- 399.17861 222.6
[M+Na-2H]- 361.13943 188.4
[M]+ 340.16421 185.0
[M]- 340.16531 185.0
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.