CID 3095873

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

Structural Information

Molecular Formula
C16H15ClN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C16H15ClN2O3S/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
FKKPNGBLMMBXNO-UHFFFAOYSA-N
Compound name
methyl 6-(4-chlorophenyl)-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

350.0492 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05648 175.8
[M+Na]+ 373.03842 185.1
[M-H]- 349.04192 180.8
[M+NH4]+ 368.08302 188.9
[M+K]+ 389.01236 179.5
[M+H-H2O]+ 333.04646 168.1
[M+HCOO]- 395.04740 182.7
[M+CH3COO]- 409.06305 210.1
[M+Na-2H]- 371.02387 175.8
[M]+ 350.04865 179.7
[M]- 350.04975 179.7
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.