CID 464975

174654-88-7

Structural Information

Molecular Formula
C15H15N5S
SMILES
CC1=C2C(=NC(=NC2=NC=C1CSC3=CC=CC=C3)N)N
InChI
InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
InChIKey
PLELQCWJTXDGHD-UHFFFAOYSA-N
Compound name
5-methyl-6-(phenylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10483 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11211 167.0
[M+Na]+ 320.09405 177.3
[M-H]- 296.09755 170.4
[M+NH4]+ 315.13865 179.3
[M+K]+ 336.06799 169.7
[M+H-H2O]+ 280.10209 157.9
[M+HCOO]- 342.10303 182.7
[M+CH3COO]- 356.11868 177.5
[M+Na-2H]- 318.07950 171.7
[M]+ 297.10428 167.4
[M]- 297.10538 167.4
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.