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]+ 309.182236 178.2
[M+Na]+ 331.164178 188.2
[M-H]- 307.167684 182.2
[M+NH4]+ 326.208783 189.6
[M+K]+ 347.138118 181.3
[M+H-H2O]+ 291.172220 168.1
[M+HCOO]- 353.173161 199.0
[M+CH3COO]- 367.188811 188.3
[M+Na-2H]- 329.149626 183.1
[M]+ 308.17441142 177.2
[M]- 308.17550858 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.