CID 472647

199852-21-6

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
CCC1=C(N2C(CSC2=NC1=O)OC)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C18H22N2O2S/c1-5-14-15(9-13-7-11(2)6-12(3)8-13)20-16(22-4)10-23-18(20)19-17(14)21/h6-8,16H,5,9-10H2,1-4H3
InChIKey
VCNZSRCOYAGYTJ-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethylphenyl)methyl]-6-ethyl-3-methoxy-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

330.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 177.9
[M+Na]+ 353.12942 189.0
[M-H]- 329.13292 184.0
[M+NH4]+ 348.17402 193.8
[M+K]+ 369.10336 183.5
[M+H-H2O]+ 313.13746 170.3
[M+HCOO]- 375.13840 193.1
[M+CH3COO]- 389.15405 211.1
[M+Na-2H]- 351.11487 176.2
[M]+ 330.13965 184.5
[M]- 330.14075 184.5
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.