CID 460024

Chembl23383

Structural Information

Molecular Formula
C17H20N6
SMILES
CC1=CC(=C(C=C1)C)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C17H20N6/c1-9-4-5-10(2)13(6-9)20-7-12-8-21-16-14(11(12)3)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
InChIKey
IWWBRNDEGOVCTK-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.17496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18224 178.2
[M+Na]+ 331.16418 188.2
[M-H]- 307.16768 182.2
[M+NH4]+ 326.20878 189.6
[M+K]+ 347.13812 181.3
[M+H-H2O]+ 291.17222 168.1
[M+HCOO]- 353.17316 199.0
[M+CH3COO]- 367.18881 188.3
[M+Na-2H]- 329.14963 183.1
[M]+ 308.17441 177.2
[M]- 308.17551 177.2
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.