CID 10560946

211244-82-5

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CCN1C(=O)C=CC2=CN=C(N=C21)SC

InChI

InChI=1S/C10H11N3OS/c1-3-13-8(14)5-4-7-6-11-10(15-2)12-9(7)13/h4-6H,3H2,1-2H3

InChIKey

RNYUFDKLBWLNCR-UHFFFAOYSA-N

Compound name

8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 221.06229 Da
Monoisotopic Mass: 1.3
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]+	222.06957	145.3
[M+Na]+	244.05151	157.3
[M-H]-	220.05501	146.7
[M+NH4]+	239.09611	162.1
[M+K]+	260.02545	152.7
[M+H-H2O]+	204.05955	137.9
[M+HCOO]-	266.06049	160.8
[M+CH3COO]-	280.07614	158.2
[M+Na-2H]-	242.03696	150.9
[M]+	221.06174	150.0
[M]-	221.06284	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe