CID 175083

72564-74-0

Structural Information

Molecular Formula
C14H12N4S
SMILES
CSC1=NC2=C(C=CC=N2)C(=N1)NC3=CC=CC=C3
InChI
InChI=1S/C14H12N4S/c1-19-14-17-12-11(8-5-9-15-12)13(18-14)16-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16,17,18)
InChIKey
AKKYLKUKNGKEGT-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-N-phenylpyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

268.07828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08556 157.3
[M+Na]+ 291.06750 173.6
[M+NH4]+ 286.11210 166.5
[M+K]+ 307.04144 162.8
[M-H]- 267.07100 162.6
[M+Na-2H]- 289.05295 167.7
[M]+ 268.07773 161.8
[M]- 268.07883 161.8
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

patents stripe