CID 462108

Chembl53318

Structural Information

Molecular Formula
C15H15ClN6
SMILES
CN(CC1=NC2=C(C=C1)N=C(N=C2N)N)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H15ClN6/c1-22(12-5-3-2-4-10(12)16)8-9-6-7-11-13(19-9)14(17)21-15(18)20-11/h2-7H,8H2,1H3,(H4,17,18,20,21)
InChIKey
GZLIYLWITBUHLE-UHFFFAOYSA-N
Compound name
6-[(2-chloro-N-methylanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.10468 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11196 172.9
[M+Na]+ 337.09390 182.6
[M-H]- 313.09740 177.3
[M+NH4]+ 332.13850 184.8
[M+K]+ 353.06784 176.1
[M+H-H2O]+ 297.10194 162.9
[M+HCOO]- 359.10288 190.3
[M+CH3COO]- 373.11853 183.3
[M+Na-2H]- 335.07935 179.3
[M]+ 314.10413 173.8
[M]- 314.10523 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.