CID 3785431

Methyl 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
C16H15IN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)I)C(=O)OC
InChI
InChI=1S/C16H15IN2O3S/c1-9-13(15(21)22-2)14(10-3-5-11(17)6-4-10)19-12(20)7-8-23-16(19)18-9/h3-6,14H,7-8H2,1-2H3
InChIKey
RYHUHAKHUMJKFD-UHFFFAOYSA-N
Compound name
methyl 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

441.9848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.99208 176.4
[M+Na]+ 464.97402 177.6
[M-H]- 440.97752 173.8
[M+NH4]+ 460.01862 184.5
[M+K]+ 480.94796 179.0
[M+H-H2O]+ 424.98206 164.4
[M+HCOO]- 486.98300 183.2
[M+CH3COO]- 500.99865 216.1
[M+Na-2H]- 462.95947 165.6
[M]+ 441.98425 175.4
[M]- 441.98535 175.4
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.