CID 511809

Chembl147828

Structural Information

Molecular Formula
C15H14Cl2N6
SMILES
CN(CC1=CC2=C(N=C(N=C2N=C1)N)N)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22)
InChIKey
BVOBMRMQGLHNQI-UHFFFAOYSA-N
Compound name
6-[(3,4-dichloro-N-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.0657 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07298 179.5
[M+Na]+ 371.05492 190.2
[M-H]- 347.05842 183.3
[M+NH4]+ 366.09952 190.7
[M+K]+ 387.02886 183.0
[M+H-H2O]+ 331.06296 170.0
[M+HCOO]- 393.06390 191.7
[M+CH3COO]- 407.07955 189.3
[M+Na-2H]- 369.04037 184.1
[M]+ 348.06515 182.0
[M]- 348.06625 182.0
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.