CID 462193

199852-50-1

Structural Information

Molecular Formula
C20H19BrN2OS
SMILES
CCC1=C(N2C(CSC2=NC1=O)CBr)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H19BrN2OS/c1-2-16-18(23-15(11-21)12-25-20(23)22-19(16)24)10-14-8-5-7-13-6-3-4-9-17(13)14/h3-9,15H,2,10-12H2,1H3
InChIKey
XJGFONCDGNWUIO-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-6-ethyl-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

414.04016 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.04744 184.0
[M+Na]+ 437.02938 197.7
[M-H]- 413.03288 192.9
[M+NH4]+ 432.07398 201.1
[M+K]+ 453.00332 183.9
[M+H-H2O]+ 397.03742 183.3
[M+HCOO]- 459.03836 196.6
[M+CH3COO]- 473.05401 196.7
[M+Na-2H]- 435.01483 186.6
[M]+ 414.03961 206.7
[M]- 414.04071 206.7
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.