CID 13379281

Brn 4516273

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₃S

SMILES

C1COCCN1C(=O)C2=CN=C3N(C2=O)CCS3

InChI

InChI=1S/C11H13N3O3S/c15-9(13-1-4-17-5-2-13)8-7-12-11-14(10(8)16)3-6-18-11/h7H,1-6H2

InChIKey

PSUXQAKOPDMRJZ-UHFFFAOYSA-N

Compound name

6-(morpholine-4-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.06775 Da
Monoisotopic Mass: -0.5
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]+	268.075026	156.7
[M+Na]+	290.056968	164.6
[M-H]-	266.060474	160.8
[M+NH4]+	285.101573	171.0
[M+K]+	306.030908	162.6
[M+H-H2O]+	250.065010	149.0
[M+HCOO]-	312.065951	167.5
[M+CH3COO]-	326.081601	167.7
[M+Na-2H]-	288.042416	157.8
[M]+	267.06720142	156.3
[M]-	267.06829858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.