CID 456425

199852-47-6

Structural Information

Molecular Formula
C16H17BrN2OS
SMILES
CCC1=C(N2C(CSC2=NC1=O)CBr)CC3=CC=CC=C3
InChI
InChI=1S/C16H17BrN2OS/c1-2-13-14(8-11-6-4-3-5-7-11)19-12(9-17)10-21-16(19)18-15(13)20/h3-7,12H,2,8-10H2,1H3
InChIKey
LUUXIFVRSMBFIR-UHFFFAOYSA-N
Compound name
5-benzyl-3-(bromomethyl)-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

364.0245 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03178 168.9
[M+Na]+ 387.01372 182.6
[M-H]- 363.01722 177.2
[M+NH4]+ 382.05832 187.1
[M+K]+ 402.98766 169.4
[M+H-H2O]+ 347.02176 168.4
[M+HCOO]- 409.02270 183.1
[M+CH3COO]- 423.03835 182.6
[M+Na-2H]- 384.99917 171.5
[M]+ 364.02395 191.3
[M]- 364.02505 191.3
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.