CID 456371

199852-38-5

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
CCOC1CSC2=NC(=C(C(=O)N12)C(C)C)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O2S/c1-4-22-15-11-23-18-19-14(10-13-8-6-5-7-9-13)16(12(2)3)17(21)20(15)18/h5-9,12,15H,4,10-11H2,1-3H3
InChIKey
QUYBWIQSCATPOS-UHFFFAOYSA-N
Compound name
7-benzyl-3-ethoxy-6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1402 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 177.8
[M+Na]+ 353.12942 186.9
[M-H]- 329.13292 183.3
[M+NH4]+ 348.17402 193.1
[M+K]+ 369.10336 181.9
[M+H-H2O]+ 313.13746 169.9
[M+HCOO]- 375.13840 192.1
[M+CH3COO]- 389.15405 209.5
[M+Na-2H]- 351.11487 176.5
[M]+ 330.13965 183.1
[M]- 330.14075 183.1
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.