CID 462111

Chembl80066

Structural Information

Molecular Formula
C15H15ClN6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=CC=C3)Cl)N)N
InChI
InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-3-10(16)5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
InChIKey
MOIOQFQHLYFHRU-UHFFFAOYSA-N
Compound name
6-[(3-chloroanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

314.10468 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11196 174.1
[M+Na]+ 337.09390 184.6
[M-H]- 313.09740 177.5
[M+NH4]+ 332.13850 185.7
[M+K]+ 353.06784 176.8
[M+H-H2O]+ 297.10194 164.5
[M+HCOO]- 359.10288 191.0
[M+CH3COO]- 373.11853 184.2
[M+Na-2H]- 335.07935 180.3
[M]+ 314.10413 174.2
[M]- 314.10523 174.2
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.