CID 2807675

Maybridge3_001100

Structural Information

Molecular Formula

C₁₂H₁₅N₃OS

SMILES

CC1CN(CC(O1)C)C2=NC=NC3=C2SC=C3

InChI

InChI=1S/C12H15N3OS/c1-8-5-15(6-9(2)16-8)12-11-10(3-4-17-11)13-7-14-12/h3-4,7-9H,5-6H2,1-2H3

InChIKey

SVUFRCMCWNRJQQ-UHFFFAOYSA-N

Compound name

2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 249.09358 Da
Monoisotopic Mass: 1.8
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]+	250.100856	153.7
[M+Na]+	272.082798	164.4
[M-H]-	248.086304	158.6
[M+NH4]+	267.127403	169.7
[M+K]+	288.056738	161.2
[M+H-H2O]+	232.090840	146.0
[M+HCOO]-	294.091781	167.3
[M+CH3COO]-	308.107431	166.1
[M+Na-2H]-	270.068246	156.2
[M]+	249.09303142	156.0
[M]-	249.09412858	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.