CID 511806

Chembl147870

Structural Information

Molecular Formula
C14H12Cl2N6
SMILES
C1=CC(=C(C=C1NCC2=CC3=C(N=C(N=C3N=C2)N)N)Cl)Cl
InChI
InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
InChIKey
ZREPYILVNAJKND-UHFFFAOYSA-N
Compound name
6-[(3,4-dichloroanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.05005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05733 174.7
[M+Na]+ 357.03927 185.8
[M-H]- 333.04277 177.3
[M+NH4]+ 352.08387 185.9
[M+K]+ 373.01321 177.5
[M+H-H2O]+ 317.04731 165.7
[M+HCOO]- 379.04825 186.8
[M+CH3COO]- 393.06390 184.5
[M+Na-2H]- 355.02472 180.6
[M]+ 334.04950 175.7
[M]- 334.05060 175.7
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.