CID 456328

199852-36-3

Structural Information

Molecular Formula
C19H24N2O3S
SMILES
CCC1=C(N=C2N(C1=O)C(CS2)OCCO)CC3=CC(=CC(=C3)C)C
InChI
InChI=1S/C19H24N2O3S/c1-4-15-16(10-14-8-12(2)7-13(3)9-14)20-19-21(18(15)23)17(11-25-19)24-6-5-22/h7-9,17,22H,4-6,10-11H2,1-3H3
InChIKey
VVQPBYLLKLOFRL-UHFFFAOYSA-N
Compound name
7-[(3,5-dimethylphenyl)methyl]-6-ethyl-3-(2-hydroxyethoxy)-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

360.15076 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15804 185.5
[M+Na]+ 383.13998 195.4
[M-H]- 359.14348 189.9
[M+NH4]+ 378.18458 199.3
[M+K]+ 399.11392 189.4
[M+H-H2O]+ 343.14802 177.9
[M+HCOO]- 405.14896 199.0
[M+CH3COO]- 419.16461 213.7
[M+Na-2H]- 381.12543 183.2
[M]+ 360.15021 192.1
[M]- 360.15131 192.1
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.