CID 3674500

609795-54-2

Structural Information

Molecular Formula
C19H21BrN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=C(C=CC(=C3)Br)OC)C(=O)OC(C)C
InChI
InChI=1S/C19H21BrN2O4S/c1-10(2)26-18(24)16-11(3)21-19-22(15(23)7-8-27-19)17(16)13-9-12(20)5-6-14(13)25-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKey
ZDGCHUSHQDVLSF-UHFFFAOYSA-N
Compound name
propan-2-yl 6-(5-bromo-2-methoxyphenyl)-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

452.04053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.04781 181.4
[M+Na]+ 475.02975 184.4
[M+NH4]+ 470.07435 184.4
[M+K]+ 491.00369 183.8
[M-H]- 451.03325 182.2
[M+Na-2H]- 473.01520 182.9
[M]+ 452.03998 181.2
[M]- 452.04108 181.2
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.