CID 490547

6-[(3,5-dichlorophenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C14H11Cl2N5S
SMILES
C1=C(C=C(C=C1Cl)Cl)SCC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C14H11Cl2N5S/c15-8-2-9(16)4-10(3-8)22-6-7-1-11-12(17)20-14(18)21-13(11)19-5-7/h1-5H,6H2,(H4,17,18,19,20,21)
InChIKey
HPCUXOBUCQVHLF-UHFFFAOYSA-N
Compound name
6-[(3,5-dichlorophenyl)sulfanylmethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.01123 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.01851 173.5
[M+Na]+ 374.00045 185.5
[M-H]- 350.00395 176.3
[M+NH4]+ 369.04505 185.2
[M+K]+ 389.97439 176.6
[M+H-H2O]+ 334.00849 165.8
[M+HCOO]- 396.00943 179.7
[M+CH3COO]- 410.02508 183.4
[M+Na-2H]- 371.98590 176.7
[M]+ 351.01068 177.0
[M]- 351.01178 177.0
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.