CID 460026

199852-49-8

Structural Information

Molecular Formula
C17H19BrN2OS
SMILES
CC(C)C1=C(N2C(CSC2=NC1=O)CBr)CC3=CC=CC=C3
InChI
InChI=1S/C17H19BrN2OS/c1-11(2)15-14(8-12-6-4-3-5-7-12)20-13(9-18)10-22-17(20)19-16(15)21/h3-7,11,13H,8-10H2,1-2H3
InChIKey
WSVXURWQXZAGHN-UHFFFAOYSA-N
Compound name
5-benzyl-3-(bromomethyl)-6-propan-2-yl-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

378.04016 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04744 173.6
[M+Na]+ 401.02938 186.4
[M-H]- 377.03288 181.8
[M+NH4]+ 396.07398 191.1
[M+K]+ 417.00332 173.5
[M+H-H2O]+ 361.03742 173.1
[M+HCOO]- 423.03836 186.4
[M+CH3COO]- 437.05401 186.8
[M+Na-2H]- 399.01483 174.7
[M]+ 378.03961 195.8
[M]- 378.04071 195.8
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.