CID 456359

199852-18-1

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCC1=C(N2C(CSC2=NC1=O)OCCO)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O3S/c1-2-13-14(10-12-6-4-3-5-7-12)19-15(22-9-8-20)11-23-17(19)18-16(13)21/h3-7,15,20H,2,8-11H2,1H3
InChIKey
YYSTZSDNPORZSB-UHFFFAOYSA-N
Compound name
5-benzyl-6-ethyl-3-(2-hydroxyethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.11948 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 176.3
[M+Na]+ 355.10870 185.4
[M-H]- 331.11220 180.4
[M+NH4]+ 350.15330 190.7
[M+K]+ 371.08264 179.9
[M+H-H2O]+ 315.11674 168.5
[M+HCOO]- 377.11768 190.6
[M+CH3COO]- 391.13333 205.3
[M+Na-2H]- 353.09415 176.4
[M]+ 332.11893 181.4
[M]- 332.12003 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.