CID 3833438

Isopropyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C18H19IN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)I)C(=O)OC(C)C
InChI
InChI=1S/C18H19IN2O3S/c1-10(2)24-17(23)15-11(3)20-18-21(14(22)8-9-25-18)16(15)12-4-6-13(19)7-5-12/h4-7,10,16H,8-9H2,1-3H3
InChIKey
XCBJKPJWCUJTTR-UHFFFAOYSA-N
Compound name
propan-2-yl 6-(4-iodophenyl)-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

470.0161 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.02338 184.5
[M+Na]+ 493.00532 184.4
[M-H]- 469.00882 181.5
[M+NH4]+ 488.04992 191.3
[M+K]+ 508.97926 186.0
[M+H-H2O]+ 453.01336 172.3
[M+HCOO]- 515.01430 189.6
[M+CH3COO]- 529.02995 222.4
[M+Na-2H]- 490.99077 171.9
[M]+ 470.01555 183.6
[M]- 470.01665 183.6
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.