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: 6
Patents: 268.07828 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.085556	157.2
[M+Na]+	291.067498	167.1
[M-H]-	267.071004	161.0
[M+NH4]+	286.112103	171.0
[M+K]+	307.041438	160.5
[M+H-H2O]+	251.075540	147.9
[M+HCOO]-	313.076481	173.6
[M+CH3COO]-	327.092131	168.6
[M+Na-2H]-	289.052946	165.1
[M]+	268.07773142	158.9
[M]-	268.07882858	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe