CID 2809162

Maybridge3_001569

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂S

SMILES

CC1=CSC2=C1C(=O)NC(=N2)CN3CCOCC3

InChI

InChI=1S/C12H15N3O2S/c1-8-7-18-12-10(8)11(16)13-9(14-12)6-15-2-4-17-5-3-15/h7H,2-6H2,1H3,(H,13,14,16)

InChIKey

LQZVDCKECYEXBS-UHFFFAOYSA-N

Compound name

5-methyl-2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 265.0885 Da
Monoisotopic Mass: 0.8
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]+	266.095776	156.8
[M+Na]+	288.077718	167.1
[M-H]-	264.081224	160.4
[M+NH4]+	283.122323	171.3
[M+K]+	304.051658	162.9
[M+H-H2O]+	248.085760	149.4
[M+HCOO]-	310.086701	169.3
[M+CH3COO]-	324.102351	168.4
[M+Na-2H]-	286.063166	159.1
[M]+	265.08795142	158.1
[M]-	265.08904858	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.