CID 464022

Chembl22677

Structural Information

Molecular Formula
C15H14ClN5S
SMILES
CC1=C2C(=NC(=NC2=NC=C1CSC3=CC=C(C=C3)Cl)N)N
InChI
InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-10(16)3-5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
InChIKey
UXHWDAJRTNZWPO-UHFFFAOYSA-N
Compound name
6-[(4-chlorophenyl)sulfanylmethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

331.06586 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07314 173.7
[M+Na]+ 354.05508 185.3
[M-H]- 330.05858 177.1
[M+NH4]+ 349.09968 185.7
[M+K]+ 370.02902 176.6
[M+H-H2O]+ 314.06312 165.2
[M+HCOO]- 376.06406 184.6
[M+CH3COO]- 390.07971 183.9
[M+Na-2H]- 352.04053 177.0
[M]+ 331.06531 176.4
[M]- 331.06641 176.4
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.