CID 485021

Chembl264386

Structural Information

Molecular Formula
C17H20N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC=C(C=C3)OC)N)N
InChI
InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-4-6-13(24-3)7-5-12/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
InChIKey
OGVIBBZMKHYOMI-UHFFFAOYSA-N
Compound name
6-[(4-methoxy-N-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.16986 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17714 179.9
[M+Na]+ 347.15908 188.7
[M-H]- 323.16258 184.8
[M+NH4]+ 342.20368 190.7
[M+K]+ 363.13302 183.9
[M+H-H2O]+ 307.16712 169.0
[M+HCOO]- 369.16806 201.3
[M+CH3COO]- 383.18371 222.1
[M+Na-2H]- 345.14453 184.9
[M]+ 324.16931 180.9
[M]- 324.17041 180.9
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.