CID 472648

199852-23-8

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
CCC1=C(N2C(CSC2=NC1=O)OCC)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C19H24N2O2S/c1-5-15-16(10-14-8-12(3)7-13(4)9-14)21-17(23-6-2)11-24-19(21)20-18(15)22/h7-9,17H,5-6,10-11H2,1-4H3
InChIKey
PTDKALFJZKNNKU-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethylphenyl)methyl]-3-ethoxy-6-ethyl-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

344.15585 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16313 182.3
[M+Na]+ 367.14507 193.0
[M-H]- 343.14857 188.2
[M+NH4]+ 362.18967 197.6
[M+K]+ 383.11901 187.2
[M+H-H2O]+ 327.15311 174.5
[M+HCOO]- 389.15405 197.1
[M+CH3COO]- 403.16970 214.0
[M+Na-2H]- 365.13052 180.1
[M]+ 344.15530 189.3
[M]- 344.15640 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.