CID 451736

199852-40-9

Structural Information

Molecular Formula
C20H20N2O2S
SMILES
CCC1=C(N=C2N(C1=O)C(CS2)OC)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H20N2O2S/c1-3-15-17(21-20-22(19(15)23)18(24-2)12-25-20)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,18H,3,11-12H2,1-2H3
InChIKey
YDFSPPNTNHTZEU-UHFFFAOYSA-N
Compound name
6-ethyl-3-methoxy-7-(naphthalen-1-ylmethyl)-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

352.12454 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13182 183.1
[M+Na]+ 375.11376 193.8
[M-H]- 351.11726 189.5
[M+NH4]+ 370.15836 198.4
[M+K]+ 391.08770 187.3
[M+H-H2O]+ 335.12180 174.8
[M+HCOO]- 397.12274 197.4
[M+CH3COO]- 411.13839 194.0
[M+Na-2H]- 373.09921 184.1
[M]+ 352.12399 188.7
[M]- 352.12509 188.7
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.