CID 398467

199852-30-7

Structural Information

Molecular Formula
C21H22N2O3S
SMILES
CCC1=C(N2C(CSC2=NC1=O)OCCO)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H22N2O3S/c1-2-16-18(12-15-8-5-7-14-6-3-4-9-17(14)15)23-19(26-11-10-24)13-27-21(23)22-20(16)25/h3-9,19,24H,2,10-13H2,1H3
InChIKey
TVYUHQCANCYRBZ-UHFFFAOYSA-N
Compound name
6-ethyl-3-(2-hydroxyethoxy)-5-(naphthalen-1-ylmethyl)-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

382.1351 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14238 189.9
[M+Na]+ 405.12432 199.3
[M-H]- 381.12782 194.8
[M+NH4]+ 400.16892 203.2
[M+K]+ 421.09826 192.6
[M+H-H2O]+ 365.13236 181.7
[M+HCOO]- 427.13330 202.6
[M+CH3COO]- 441.14895 199.5
[M+Na-2H]- 403.10977 190.5
[M]+ 382.13455 195.5
[M]- 382.13565 195.5
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.