CID 457346

Chembl23382

Structural Information

Molecular Formula
C17H20N6O
SMILES
CC1=C(C=CC(=C1)OC)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C17H20N6O/c1-9-6-12(24-3)4-5-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
InChIKey
ZFJZAIOQBYYXHC-UHFFFAOYSA-N
Compound name
6-[(4-methoxy-2-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.16986 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17714 180.9
[M+Na]+ 347.15908 190.6
[M-H]- 323.16258 184.8
[M+NH4]+ 342.20368 191.5
[M+K]+ 363.13302 184.5
[M+H-H2O]+ 307.16712 170.5
[M+HCOO]- 369.16806 201.9
[M+CH3COO]- 383.18371 190.8
[M+Na-2H]- 345.14453 185.8
[M]+ 324.16931 181.2
[M]- 324.17041 181.2
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.