CID 2874878

301358-79-2

Structural Information

Molecular Formula
C17H17BrN2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)CCS2)C
InChI
InChI=1S/C17H17BrN2O3S/c1-3-23-16(22)14-10(2)19-17-20(13(21)8-9-24-17)15(14)11-4-6-12(18)7-5-11/h4-7,15H,3,8-9H2,1-2H3
InChIKey
WLHSHOJSALOHQR-UHFFFAOYSA-N
Compound name
ethyl 6-(4-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.01434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02162 175.8
[M+Na]+ 431.00356 186.7
[M-H]- 407.00706 183.0
[M+NH4]+ 426.04816 189.8
[M+K]+ 446.97750 174.5
[M+H-H2O]+ 391.01160 174.3
[M+HCOO]- 453.01254 185.4
[M+CH3COO]- 467.02819 217.3
[M+Na-2H]- 428.98901 177.8
[M]+ 408.01379 196.6
[M]- 408.01489 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.